2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine

C11H16ClN3 — CID 107414764

IUPAC2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCC1CCC(CNc2ccnc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3/c1-8-2-3-9(6-8)7-14-10-4-5-13-11(12)15-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyDJICPHMJSBAULF-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine

2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 107414764) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID107414764
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCC1CCC(CNc2ccnc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3/c1-8-2-3-9(6-8)7-14-10-4-5-13-11(12)15-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyDJICPHMJSBAULF-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761521
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107414033
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
6-methyl-N-[(3-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107414004
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
6-N-ethyl-2-N-[(3-methylcyclopentyl)methyl]pyrazine-2,6-diamine
CID 107415935
3-N-[(3-methylcyclopentyl)methyl]pyridazine-3,6-diamine
CID 107415795
2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 107554558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 107414764) is 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is CC1CCC(CNc2ccnc(Cl)n2)C1.
What is the InChIKey of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is DJICPHMJSBAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-2-3-9(6-8)7-14-10-4-5-13-11(12)15-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 107414764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).