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

C9H14N4O — CID 135962973

IUPAC4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(C2(N)CCCC2)n1
InChIInChI=1S/C9H14N4O/c10-6-5-7(14)13-8(12-6)9(11)3-1-2-4-9/h5H,1-4,11H2,(H3,10,12,13,14)
InChIKeyXJQHOKYYDLMVTI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.08
Rot. Bonds1

About 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one

4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one (PubChem CID 135962973) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
PubChem CID135962973
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(C2(N)CCCC2)n1
InChIInChI=1S/C9H14N4O/c10-6-5-7(14)13-8(12-6)9(11)3-1-2-4-9/h5H,1-4,11H2,(H3,10,12,13,14)
InChIKeyXJQHOKYYDLMVTI-UHFFFAOYSA-N
XLogP0.08
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one (CID 135962973) is 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(C2(N)CCCC2)n1.
What is the InChIKey of 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is XJQHOKYYDLMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-6-5-7(14)13-8(12-6)9(11)3-1-2-4-9/h5H,1-4,11H2,(H3,10,12,13,14).
What are the key properties of 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one?
4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-aminocyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135962973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).