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

C13H18N2O2 — CID 112569367

IUPAC5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(O)c(C3CCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C13H18N2O2/c1-13(6-7-13)12-14-10(16)9(11(17)15-12)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyGNSILDIZYBMTQX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.18
Rot. Bonds2

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

5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 112569367) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID112569367
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(O)c(C3CCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C13H18N2O2/c1-13(6-7-13)12-14-10(16)9(11(17)15-12)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyGNSILDIZYBMTQX-UHFFFAOYSA-N
XLogP2.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one (CID 112569367) is 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one is CC1(c2nc(O)c(C3CCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is GNSILDIZYBMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(6-7-13)12-14-10(16)9(11(17)15-12)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).