4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine

C12H19N3O — CID 66995665

IUPAC4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCC(C)CC2)n1
InChIInChI=1S/C12H19N3O/c1-9-3-5-10(6-4-9)14-12-13-8-7-11(15-12)16-2/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyFFWHYBCKRMVLDU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.48
Rot. Bonds3

About 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine

4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine (PubChem CID 66995665) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine
PubChem CID66995665
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCC(C)CC2)n1
InChIInChI=1S/C12H19N3O/c1-9-3-5-10(6-4-9)14-12-13-8-7-11(15-12)16-2/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyFFWHYBCKRMVLDU-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine (CID 66995665) is 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine is COc1ccnc(NC2CCC(C)CC2)n1.
What is the InChIKey of 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The InChIKey is FFWHYBCKRMVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-5-10(6-4-9)14-12-13-8-7-11(15-12)16-2/h7-10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine?
4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 66995665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).