4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one

C13H19N3O2 — CID 114586463

IUPAC4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCC1
InChIInChI=1S/C13H19N3O2/c14-13(5-1-2-6-13)8-18-11-7-10(17)15-12(16-11)9-3-4-9/h7,9H,1-6,8,14H2,(H,15,16,17)
InChIKeyGGWBLVHDFUJCIO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds4

About 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586463) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586463
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCC1
InChIInChI=1S/C13H19N3O2/c14-13(5-1-2-6-13)8-18-11-7-10(17)15-12(16-11)9-3-4-9/h7,9H,1-6,8,14H2,(H,15,16,17)
InChIKeyGGWBLVHDFUJCIO-UHFFFAOYSA-N
XLogP1.30
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103241761
4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241765
4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241766
2-cyclopropyl-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103286549
4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 106207973
4-[(1-aminocyclopentyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 113604878
4-[(1-aminocyclopentyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604879
4-(2-amino-2-ethylbutoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604883
2-cyclopropyl-4-hexoxy-1H-pyrimidin-6-one
CID 113792609
4-(cyclohexylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 113792759

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586463) is 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is NC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCC1.
What is the InChIKey of 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is GGWBLVHDFUJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(5-1-2-6-13)8-18-11-7-10(17)15-12(16-11)9-3-4-9/h7,9H,1-6,8,14H2,(H,15,16,17).
What are the key properties of 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).