6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine

C18H23N3 — CID 63080795

IUPAC6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(C2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C18H23N3/c1-2-15-13-16(19)21-17(20-15)18(11-7-4-8-12-18)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H2,19,20,21)
InChIKeyAJMWLFDTZJBINC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds3

About 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine

6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine (PubChem CID 63080795) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine
PubChem CID63080795
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(C2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C18H23N3/c1-2-15-13-16(19)21-17(20-15)18(11-7-4-8-12-18)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H2,19,20,21)
InChIKeyAJMWLFDTZJBINC-UHFFFAOYSA-N
XLogP3.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine (CID 63080795) is 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine is CCc1cc(N)nc(C2(c3ccccc3)CCCCC2)n1.
What is the InChIKey of 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine?
The InChIKey is AJMWLFDTZJBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-15-13-16(19)21-17(20-15)18(11-7-4-8-12-18)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine?
6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 63080795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).