Back to Search
Tetraaminopyrimidine
CAS: 1004-74-6 | C4H8N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1004-74-6
Molecular Formula:
C4H8N6
Molecular Weight:
140.15000000000003 g/mol
Names and Synonyms:
Tetraaminopyrimidine
Tetraaminopyrimidine
2,4,5,6-Tetraaminopyrimidine
Pyrimidine, 2,4,5,6-tetraamino-
Pyrimidinetetramine
2,4,5,6-Pyrimidinetetramine
Pyrimidine, tetraamino-
Identifiers:
SMILES:
N=c1[nH]c(N)c(N)c(=N)[nH]1
InChI:
InChI=1S/C4H8N6/c5-1-2(6)9-4(8)10-3(1)7/h5H2,(H6,6,7,8,9,10)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 140.15 g/mol | Legacy Database |
| cas-canonical-smile | N=1C(=NC(N)=C(N)C1N)N None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N6/c5-1-2(6)9-4(8)10-3(1)7/h5H2,(H6,6,7,8,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=PZRKPUQWIFJRKZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Tetraaminopyrimidine None | Legacy Database |
| LogP | -1.5338600000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.15000000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.08104425599998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 131.32 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.6776 | RDKit |
