2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine

C12H14N6O3 — CID 3097970

IUPAC2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(NN)nc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H14N6O3/c1-7-10(18(19)20)11(16-12(14-7)17-13)15-8-3-5-9(21-2)6-4-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDMUBBAGWJVZYLF-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.73
Rot. Bonds5

About 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine

2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine (PubChem CID 3097970) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine
PubChem CID3097970
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(NN)nc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H14N6O3/c1-7-10(18(19)20)11(16-12(14-7)17-13)15-8-3-5-9(21-2)6-4-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDMUBBAGWJVZYLF-UHFFFAOYSA-N
XLogP1.73
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
2-[[4-Amino-6-(2-methoxyanilino)-5-nitropyrimidin-2-yl]amino]ethanol
CID 3294594
4-N-(2-methoxyphenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine
CID 3541811
4-N-(2-methoxyphenyl)-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3618391
2-N-(4-methoxyphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 3633635
2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3786263
6-(4-ethylpiperazin-1-yl)-2-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
CID 3807312
4-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3937798
2-[[6-Amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
CID 4269045
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 4322814
N-(3-Dimethylamino-propyl)-N'-(2-methoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
CID 4396771
4-N-(2-methoxyphenyl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
CID 4528431

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine (CID 3097970) is 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine is COc1ccc(Nc2nc(NN)nc(C)c2[N+](=O)[O-])cc1.
What is the InChIKey of 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine?
The InChIKey is DMUBBAGWJVZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-7-10(18(19)20)11(16-12(14-7)17-13)15-8-3-5-9(21-2)6-4-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine?
2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine has a molecular weight of 290.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 3097970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).