5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C13H16N4O2 — CID 112569328

IUPAC5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2nc(O)c(C3CCCC3)c(=O)[nH]2)n1
InChIInChI=1S/C13H16N4O2/c1-17-7-6-9(16-17)11-14-12(18)10(13(19)15-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeySXKMJADWTGAMBS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds2

About 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 112569328) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID112569328
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2nc(O)c(C3CCCC3)c(=O)[nH]2)n1
InChIInChI=1S/C13H16N4O2/c1-17-7-6-9(16-17)11-14-12(18)10(13(19)15-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeySXKMJADWTGAMBS-UHFFFAOYSA-N
XLogP1.53
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 112569328) is 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1ccc(-c2nc(O)c(C3CCCC3)c(=O)[nH]2)n1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is SXKMJADWTGAMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-7-6-9(16-17)11-14-12(18)10(13(19)15-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,14,15,18,19).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).