6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine

C16H27N3O — CID 116730122

IUPAC6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CCCC2)nc(C(CC)OC)n1
InChIInChI=1S/C16H27N3O/c1-4-10-17-15-11-13(12-8-6-7-9-12)18-16(19-15)14(5-2)20-3/h11-12,14H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOTVYEUPHHBHIGK-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.05
Rot. Bonds7

About 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine

6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine (PubChem CID 116730122) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine
PubChem CID116730122
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CCCC2)nc(C(CC)OC)n1
InChIInChI=1S/C16H27N3O/c1-4-10-17-15-11-13(12-8-6-7-9-12)18-16(19-15)14(5-2)20-3/h11-12,14H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOTVYEUPHHBHIGK-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116776316
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 63354181
6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79088810
6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
CID 116730104
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
[2-(1-methoxypropyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730308
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-cyclopentyl-N-ethyl-2-(1-methoxycyclopentyl)pyrimidin-4-amine
CID 104611787
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine (CID 116730122) is 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CCCC2)nc(C(CC)OC)n1.
What is the InChIKey of 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine?
The InChIKey is OTVYEUPHHBHIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-10-17-15-11-13(12-8-6-7-9-12)18-16(19-15)14(5-2)20-3/h11-12,14H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine?
6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116730122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).