5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine

C13H20ClN3O — CID 80876001

IUPAC5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-8-4-5-10(6-9(8)2)18-12-11(14)7-16-13(15-3)17-12/h7-10H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyFSDKKVNSQHOQPM-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.38
Rot. Bonds3

About 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine

5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine (PubChem CID 80876001) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
PubChem CID80876001
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-8-4-5-10(6-9(8)2)18-12-11(14)7-16-13(15-3)17-12/h7-10H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyFSDKKVNSQHOQPM-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine (CID 80876001) is 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(OC2CCC(C)C(C)C2)n1.
What is the InChIKey of 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
The InChIKey is FSDKKVNSQHOQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8-4-5-10(6-9(8)2)18-12-11(14)7-16-13(15-3)17-12/h7-10H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80876001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).