2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine

C11H9ClN4O3 — CID 114043106

IUPAC2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
SMILESCOc1ccccc1Nc1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-19-9-5-3-2-4-7(9)14-10-8(16(17)18)6-13-11(12)15-10/h2-6H,1H3,(H,13,14,15)
InChIKeyACGALDSCVONMJK-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine

2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine (PubChem CID 114043106) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
PubChem CID114043106
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
SMILESCOc1ccccc1Nc1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-19-9-5-3-2-4-7(9)14-10-8(16(17)18)6-13-11(12)15-10/h2-6H,1H3,(H,13,14,15)
InChIKeyACGALDSCVONMJK-UHFFFAOYSA-N
XLogP2.79
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.79
H-Bond Donors ≤ 51
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'}

Analyze 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-methoxyphenyl)-4-N-methyl-5-nitropyrimidine-2,4-diamine
CID 21077397
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
2-chloro-N-(3-iodo-2-methylphenyl)-5-nitropyrimidin-4-amine
CID 114257791
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2-chloro-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 114043110
2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 114043345
2-N,4-N-bis(3,4-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine;2,4-dichloro-5-nitropyrimidine
CID 157386762
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 114043451
8-[(2-chloro-5-nitropyrimidin-4-yl)amino]-3,4-dihydro-1H-naphthalen-2-one
CID 87956451
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine (CID 114043106) is 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine is COc1ccccc1Nc1nc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is ACGALDSCVONMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-19-9-5-3-2-4-7(9)14-10-8(16(17)18)6-13-11(12)15-10/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine?
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 280.67 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).