2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one

C4H3ClN4O3CAS 1007-99-4190.54 g/mol

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NNHONH2ClN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C4H3ClN4O3
Molar mass
190.54 g/mol
Exact mass
189.9894 Da
logP
-0.09Crippen estimate
Polar surface area
114.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1007-99-4
SMILES
C1(=C(N=C(NC1=O)N)Cl)[N+](=O)[O-]
InChIKey
UTTPUMOOQSNOHH-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN4O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H3,6,7,8,10)

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Names and synonyms

1 names
  • 2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine

Work with 2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4,6-dihydroxy-5-nitropyrimidine80466-56-464 % similar 2,4,6-Trichloro-5-nitropyrimidine4359-87-949 % similar 2,6-Dichloro-3-nitro-4-aminopyridine2897-43-047 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-042 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-241 % similar 4-Amino-2-chloro-3-nitropyridine2789-25-541 % similar 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-940 % similar 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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