6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine

C11H16ClN3 — CID 129366087

IUPAC6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine
SMILESC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ncn1
InChIInChI=1S/C11H16ClN3/c1-8-4-2-3-5-9(8)15-11-6-10(12)13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)/t8-,9+/m1/s1
InChIKeyBOVMENDMRDQMNO-BDAKNGLRSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds2

About 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine

6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine (PubChem CID 129366087) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine
PubChem CID129366087
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine
SMILESC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ncn1
InChIInChI=1S/C11H16ClN3/c1-8-4-2-3-5-9(8)15-11-6-10(12)13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)/t8-,9+/m1/s1
InChIKeyBOVMENDMRDQMNO-BDAKNGLRSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine (CID 129366087) is 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine is C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine?
The InChIKey is BOVMENDMRDQMNO-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-4-2-3-5-9(8)15-11-6-10(12)13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)/t8-,9+/m1/s1.
What are the key properties of 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine?
6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 129366087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).