2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine

C11H9ClN4O2 — CID 40517396

IUPAC2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
SMILESCN(c1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O2/c1-15(8-5-3-2-4-6-8)10-9(16(17)18)7-13-11(12)14-10/h2-7H,1H3
InChIKeyYLVDBVJBBUVAAM-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine

2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine (PubChem CID 40517396) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
PubChem CID40517396
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
SMILESCN(c1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O2/c1-15(8-5-3-2-4-6-8)10-9(16(17)18)7-13-11(12)14-10/h2-7H,1H3
InChIKeyYLVDBVJBBUVAAM-UHFFFAOYSA-N
XLogP2.81
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-(N-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403394
N-benzyl-2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine
CID 155102558
2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine
CID 3090149
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
CID 114044250
6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
CID 62004028
methyl 2-(N-(2-chloro-5-nitropyrimidin-4-yl)-4-iodoanilino)butanoate
CID 58405318
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
N-methyl-4-nitro-N-phenylaniline
CID 11287619
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine (CID 40517396) is 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine is CN(c1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine?
The InChIKey is YLVDBVJBBUVAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c1-15(8-5-3-2-4-6-8)10-9(16(17)18)7-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine?
2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine has a molecular weight of 264.67 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 40517396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).