2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine

C18H29N3O — CID 82458395

IUPAC2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CCCC2)nc(C2CCCCC2)n1
InChIInChI=1S/C18H29N3O/c1-2-12-22-17-13-16(19-15-10-6-7-11-15)20-18(21-17)14-8-4-3-5-9-14/h13-15H,2-12H2,1H3,(H,19,20,21)
InChIKeyNOPQPPJKEQAABS-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.67
Rot. Bonds6

About 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine

2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine (PubChem CID 82458395) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
PubChem CID82458395
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CCCC2)nc(C2CCCCC2)n1
InChIInChI=1S/C18H29N3O/c1-2-12-22-17-13-16(19-15-10-6-7-11-15)20-18(21-17)14-8-4-3-5-9-14/h13-15H,2-12H2,1H3,(H,19,20,21)
InChIKeyNOPQPPJKEQAABS-UHFFFAOYSA-N
XLogP4.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine (CID 82458395) is 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine is CCCOc1cc(NC2CCCC2)nc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine?
The InChIKey is NOPQPPJKEQAABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-12-22-17-13-16(19-15-10-6-7-11-15)20-18(21-17)14-8-4-3-5-9-14/h13-15H,2-12H2,1H3,(H,19,20,21).
What are the key properties of 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine?
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82458395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).