2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C16H20N2O2 — CID 63613283

IUPAC2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2cc(C)cc(C)c2)[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-4-5-13-15(19)17-14(18-16(13)20)9-12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyUGFOIDLAFHEFPG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.64
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63613283) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63613283
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2cc(C)cc(C)c2)[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-4-5-13-15(19)17-14(18-16(13)20)9-12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyUGFOIDLAFHEFPG-UHFFFAOYSA-N
XLogP2.64
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63613283) is 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(Cc2cc(C)cc(C)c2)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is UGFOIDLAFHEFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-5-13-15(19)17-14(18-16(13)20)9-12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).