2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C15H18N2O2 — CID 63613309

IUPAC2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(-c2nc(O)c(C(C)C)c(=O)[nH]2)c1
InChIInChI=1S/C15H18N2O2/c1-8(2)12-14(18)16-13(17-15(12)19)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H2,16,17,18,19)
InChIKeyRCFHOCDEMNKUPV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.88
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63613309) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63613309
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(-c2nc(O)c(C(C)C)c(=O)[nH]2)c1
InChIInChI=1S/C15H18N2O2/c1-8(2)12-14(18)16-13(17-15(12)19)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H2,16,17,18,19)
InChIKeyRCFHOCDEMNKUPV-UHFFFAOYSA-N
XLogP2.88
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63613309) is 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is Cc1ccc(C)c(-c2nc(O)c(C(C)C)c(=O)[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RCFHOCDEMNKUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8(2)12-14(18)16-13(17-15(12)19)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).