4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide

C11H9N5O3 — CID 116647923

IUPAC4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(-c2ccccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C11H9N5O3/c12-9-7(10(13)17)5-14-11(15-9)6-3-1-2-4-8(6)16(18)19/h1-5H,(H2,13,17)(H2,12,14,15)
InChIKeyRURGXWHTVXPRGW-UHFFFAOYSA-N
MW259.23 g/mol
LogP0.73
Rot. Bonds3

About 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide

4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide (PubChem CID 116647923) has the molecular formula C11H9N5O3 and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide
PubChem CID116647923
Molecular FormulaC11H9N5O3
Molecular Weight259.23 g/mol
Exact Mass259.07
IUPAC Name4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(-c2ccccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C11H9N5O3/c12-9-7(10(13)17)5-14-11(15-9)6-3-1-2-4-8(6)16(18)19/h1-5H,(H2,13,17)(H2,12,14,15)
InChIKeyRURGXWHTVXPRGW-UHFFFAOYSA-N
XLogP0.73
TPSA138.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 50.73
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

4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
CID 90082572
2-carbamothioyl-3-(2-nitrophenyl)benzamide
CID 87377878
2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190548
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 116647886
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
4-(dimethoxymethyl)-2-(2-nitrophenyl)pyrimidine
CID 115531749
4-amino-2-pyrazin-2-ylpyrimidine-5-carboxamide
CID 116647862
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-methylsulfanyl-6-(2-nitrophenyl)-1,3,5-triazin-2-amine
CID 78909338
N-[[2-(2-nitrophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62748621

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide (CID 116647923) is 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide is NC(=O)c1cnc(-c2ccccc2[N+](=O)[O-])nc1N.
What is the InChIKey of 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide?
The InChIKey is RURGXWHTVXPRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3/c12-9-7(10(13)17)5-14-11(15-9)6-3-1-2-4-8(6)16(18)19/h1-5H,(H2,13,17)(H2,12,14,15).
What are the key properties of 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide?
4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116647923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).