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

C14H18N4O2 — CID 115926378

IUPAC5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1nn(C)cc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-10(7-18(2)17-8)12-15-13(19)11(14(20)16-12)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H2,15,16,19,20)
InChIKeyNQUREYHQOWYSEU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.84
Rot. Bonds2

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

5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115926378) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115926378
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1nn(C)cc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-10(7-18(2)17-8)12-15-13(19)11(14(20)16-12)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H2,15,16,19,20)
InChIKeyNQUREYHQOWYSEU-UHFFFAOYSA-N
XLogP1.84
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 115926378) is 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one is Cc1nn(C)cc1-c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NQUREYHQOWYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-10(7-18(2)17-8)12-15-13(19)11(14(20)16-12)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115926378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).