4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one

C13H14N2O2 — CID 136691696

IUPAC4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2cc(C)cc(C)c2)nc[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-8-4-9(2)6-10(5-8)11-12(17-3)13(16)15-7-14-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyXTWLKFMOPJLROZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one

4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136691696) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136691696
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2cc(C)cc(C)c2)nc[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-8-4-9(2)6-10(5-8)11-12(17-3)13(16)15-7-14-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyXTWLKFMOPJLROZ-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136692798
4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692477
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136692107
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
CID 136769791
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
CID 136955627

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one (CID 136691696) is 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-c2cc(C)cc(C)c2)nc[nH]c1=O.
What is the InChIKey of 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XTWLKFMOPJLROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-9(2)6-10(5-8)11-12(17-3)13(16)15-7-14-11/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one?
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136691696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).