6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine

C11H9ClN4O2 — CID 86061071

IUPAC6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1Nc1cc(Cl)ncn1
InChIInChI=1S/C11H9ClN4O2/c1-7-2-3-8(16(17)18)4-9(7)15-11-5-10(12)13-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyAVFISQHPONWZKB-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.09
Rot. Bonds3

About 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine

6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine (PubChem CID 86061071) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
PubChem CID86061071
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1Nc1cc(Cl)ncn1
InChIInChI=1S/C11H9ClN4O2/c1-7-2-3-8(16(17)18)4-9(7)15-11-5-10(12)13-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyAVFISQHPONWZKB-UHFFFAOYSA-N
XLogP3.09
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
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-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
6-chloro-N-(3-methoxy-4-nitrophenyl)pyrimidin-4-amine
CID 169224624
4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine
CID 57435898
N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 142006944
ethyl (2S)-2-[(6-chloropyrimidin-4-yl)amino]-3-(4-nitrophenyl)propanoate
CID 139921560
(2-methyl-5-nitroanilino)carbamic acid
CID 174219510
6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine (CID 86061071) is 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine is Cc1ccc([N+](=O)[O-])cc1Nc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The InChIKey is AVFISQHPONWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c1-7-2-3-8(16(17)18)4-9(7)15-11-5-10(12)13-6-14-11/h2-6H,1H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine has a molecular weight of 264.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 86061071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).