2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

C13H19N3O2 — CID 136975416

IUPAC2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-8-13(5-1-2-6-13)16-10-7-11(18)15-12(14-10)9-3-4-9/h7,9,17H,1-6,8H2,(H2,14,15,16,18)
InChIKeyXURAMOLMHKROPB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds4

About 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (PubChem CID 136975416) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
PubChem CID136975416
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-8-13(5-1-2-6-13)16-10-7-11(18)15-12(14-10)9-3-4-9/h7,9,17H,1-6,8H2,(H2,14,15,16,18)
InChIKeyXURAMOLMHKROPB-UHFFFAOYSA-N
XLogP1.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (CID 136975416) is 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(CO)CCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The InChIKey is XURAMOLMHKROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-8-13(5-1-2-6-13)16-10-7-11(18)15-12(14-10)9-3-4-9/h7,9,17H,1-6,8H2,(H2,14,15,16,18).
What are the key properties of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).