2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine

C11H15ClN4O2 — CID 114043442

IUPAC2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O2/c1-6-3-4-8(5-6)14-10-9(16(17)18)7(2)13-11(12)15-10/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyARIKEZQNEWBWSL-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine

2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine (PubChem CID 114043442) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine
PubChem CID114043442
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O2/c1-6-3-4-8(5-6)14-10-9(16(17)18)7(2)13-11(12)15-10/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyARIKEZQNEWBWSL-UHFFFAOYSA-N
XLogP2.95
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.95
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

2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine
CID 114043150
2-chloro-N-cyclohex-3-en-1-yl-6-methyl-5-nitropyrimidin-4-amine
CID 114156776
[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 142470806
2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine
CID 114043589
2-chloro-N-(2-chloroprop-2-enyl)-6-methyl-5-nitropyrimidin-4-amine
CID 106195519
4-N-(3-methylcyclopentyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 114541985
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
1-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 86016058
6-chloro-N-cyclopropyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458974
6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 114541947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine (CID 114043442) is 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine is Cc1nc(Cl)nc(NC2CCC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine?
The InChIKey is ARIKEZQNEWBWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-6-3-4-8(5-6)14-10-9(16(17)18)7(2)13-11(12)15-10/h6,8H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine?
2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine has a molecular weight of 270.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).