2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C14H21N3O — CID 136867379

IUPAC2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O/c1-9-2-3-10(6-9)8-15-12-7-13(18)17-14(16-12)11-4-5-11/h7,9-11H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyFESNMXXJUGCJGT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds4

About 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867379) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867379
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O/c1-9-2-3-10(6-9)8-15-12-7-13(18)17-14(16-12)11-4-5-11/h7,9-11H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyFESNMXXJUGCJGT-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867379) is 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CC1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FESNMXXJUGCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-2-3-10(6-9)8-15-12-7-13(18)17-14(16-12)11-4-5-11/h7,9-11H,2-6,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 247.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).