6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine

C16H27N3O — CID 116777398

IUPAC6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(NC)cc(C2CCCC2)n1
InChIInChI=1S/C16H27N3O/c1-5-16(3,20-6-2)15-18-13(11-14(17-4)19-15)12-9-7-8-10-12/h11-12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyJGULXAYNINEGRJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.84
Rot. Bonds6

About 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine

6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 116777398) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID116777398
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(NC)cc(C2CCCC2)n1
InChIInChI=1S/C16H27N3O/c1-5-16(3,20-6-2)15-18-13(11-14(17-4)19-15)12-9-7-8-10-12/h11-12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyJGULXAYNINEGRJ-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116776316
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528
2-(2-ethoxybutan-2-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777267
2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116776051
6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
CID 116730104
2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116775799
2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116775818
6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63354385
6-cyclopentyl-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 104611786
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine
CID 63318667
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine (CID 116777398) is 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine is CCOC(C)(CC)c1nc(NC)cc(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is JGULXAYNINEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(3,20-6-2)15-18-13(11-14(17-4)19-15)12-9-7-8-10-12/h11-12H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116777398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).