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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Related Compounds

2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612286
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264
5-ethyl-2-[(3-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613280
2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216244
2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 18629153
2-[(3,5-dimethylphenyl)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204917
5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 55215281
2-(3,4-dihydroxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 136889104
2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612642
2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63891060
2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 79786330

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).