2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C14H14N2O2 — CID 79416999

IUPAC2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C3CC3)[nH]c2=O)c1
InChIInChI=1S/C14H14N2O2/c1-8-3-2-4-10(7-8)11-13(17)15-12(9-5-6-9)16-14(11)18/h2-4,7,9H,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyOFUMUWOOBXEZBZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.33
Rot. Bonds2

About 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79416999) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79416999
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C3CC3)[nH]c2=O)c1
InChIInChI=1S/C14H14N2O2/c1-8-3-2-4-10(7-8)11-13(17)15-12(9-5-6-9)16-14(11)18/h2-4,7,9H,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyOFUMUWOOBXEZBZ-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 79416999) is 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2c(O)nc(C3CC3)[nH]c2=O)c1.
What is the InChIKey of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is OFUMUWOOBXEZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-3-2-4-10(7-8)11-13(17)15-12(9-5-6-9)16-14(11)18/h2-4,7,9H,5-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).