4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O — CID 137009650

IUPAC4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)CC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O/c1-10(2)14-15-12(8-13(18)16-14)17(3)9-11-6-4-5-7-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKeyWVQDXGKTYQZCAV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds4

About 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137009650) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137009650
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)CC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O/c1-10(2)14-15-12(8-13(18)16-14)17(3)9-11-6-4-5-7-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKeyWVQDXGKTYQZCAV-UHFFFAOYSA-N
XLogP2.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805343
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016014
2-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016019
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024
4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 137009650) is 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)CC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WVQDXGKTYQZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)14-15-12(8-13(18)16-14)17(3)9-11-6-4-5-7-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,18).
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).