4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O — CID 136975733

IUPAC4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(C)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3)6-4-5-7-14/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyGKSYGRCHYOZAJR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.89
Rot. Bonds4

About 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136975733) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136975733
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(C)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3)6-4-5-7-14/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyGKSYGRCHYOZAJR-UHFFFAOYSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136975733) is 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(C)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GKSYGRCHYOZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3)6-4-5-7-14/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136975733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).