5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one

C12H17N3O2 — CID 112569360

IUPAC5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CC2)nc(O)c1C1CCCC1
InChIInChI=1S/C12H17N3O2/c16-10-9(7-3-1-2-4-7)11(17)15-12(14-10)13-8-5-6-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKeyPEEZPXLJODPKNR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.71
Rot. Bonds3

About 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 112569360) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID112569360
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CC2)nc(O)c1C1CCCC1
InChIInChI=1S/C12H17N3O2/c16-10-9(7-3-1-2-4-7)11(17)15-12(14-10)13-8-5-6-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKeyPEEZPXLJODPKNR-UHFFFAOYSA-N
XLogP1.71
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 112569360) is 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(NC2CC2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PEEZPXLJODPKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-10-9(7-3-1-2-4-7)11(17)15-12(14-10)13-8-5-6-8/h7-8H,1-6H2,(H3,13,14,15,16,17).
What are the key properties of 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 112569360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).