2-(1-aminocyclopentyl)-1H-pyrimidin-6-one

C9H13N3O — CID 56801624

IUPAC2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
SMILESNC1(c2nccc(=O)[nH]2)CCCC1
InChIInChI=1S/C9H13N3O/c10-9(4-1-2-5-9)8-11-6-3-7(13)12-8/h3,6H,1-2,4-5,10H2,(H,11,12,13)
InChIKeyVYGJEIHMLYLMDF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.50
Rot. Bonds1

About 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one

2-(1-aminocyclopentyl)-1H-pyrimidin-6-one (PubChem CID 56801624) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
PubChem CID56801624
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
SMILESNC1(c2nccc(=O)[nH]2)CCCC1
InChIInChI=1S/C9H13N3O/c10-9(4-1-2-5-9)8-11-6-3-7(13)12-8/h3,6H,1-2,4-5,10H2,(H,11,12,13)
InChIKeyVYGJEIHMLYLMDF-UHFFFAOYSA-N
XLogP0.50
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one (CID 56801624) is 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one is NC1(c2nccc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is VYGJEIHMLYLMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(4-1-2-5-9)8-11-6-3-7(13)12-8/h3,6H,1-2,4-5,10H2,(H,11,12,13).
What are the key properties of 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
2-(1-aminocyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 56801624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).