2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid

C12H10N4O4 — CID 54851306

IUPAC2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O
InChIInChI=1S/C12H10N4O4/c1-6-9(11(17)18)10(15-12(13)14-6)7-2-4-8(5-3-7)16(19)20/h2-5H,1H3,(H,17,18)(H2,13,14,15)
InChIKeyQJALZCAKIOJOFU-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid

2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid (PubChem CID 54851306) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid
PubChem CID54851306
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O
InChIInChI=1S/C12H10N4O4/c1-6-9(11(17)18)10(15-12(13)14-6)7-2-4-8(5-3-7)16(19)20/h2-5H,1H3,(H,17,18)(H2,13,14,15)
InChIKeyQJALZCAKIOJOFU-UHFFFAOYSA-N
XLogP1.64
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507
5-methyl-3-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
CID 54851348
2-methoxy-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 21077787
ethyl 4-methyl-2-morpholin-4-yl-6-(4-nitrophenyl)pyrimidine-5-carboxylate
CID 132531713
4-amino-5-benzoyl-6-methyl-2-(4-nitrophenyl)benzene-1,3-dicarboxylic acid
CID 174420639
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008
4-chloro-6-methylpyrimidin-2-amine;4-nitrobenzoic acid
CID 139144567
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one
CID 127028908
3-methyl-4-(4-nitrophenyl)-1,2,5-oxadiazole
CID 13144101
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid (CID 54851306) is 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid is Cc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O.
What is the InChIKey of 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid?
The InChIKey is QJALZCAKIOJOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-6-9(11(17)18)10(15-12(13)14-6)7-2-4-8(5-3-7)16(19)20/h2-5H,1H3,(H,17,18)(H2,13,14,15).
What are the key properties of 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid?
2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 54851306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).