4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile

C15H15N3O2 — CID 116851937

IUPAC4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
SMILESCOc1c(C)cc(C)cc1-c1nc(=O)n(C)cc1C#N
InChIInChI=1S/C15H15N3O2/c1-9-5-10(2)14(20-4)12(6-9)13-11(7-16)8-18(3)15(19)17-13/h5-6,8H,1-4H3
InChIKeyRHXHGEJXQDZWJN-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.94
Rot. Bonds2

About 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile

4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile (PubChem CID 116851937) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
PubChem CID116851937
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
SMILESCOc1c(C)cc(C)cc1-c1nc(=O)n(C)cc1C#N
InChIInChI=1S/C15H15N3O2/c1-9-5-10(2)14(20-4)12(6-9)13-11(7-16)8-18(3)15(19)17-13/h5-6,8H,1-4H3
InChIKeyRHXHGEJXQDZWJN-UHFFFAOYSA-N
XLogP1.94
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile
CID 116851938
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858895
4-(3-bromophenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851963
1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile
CID 116851964
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356927
2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 82307318
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
4-bromo-5-(2-methoxy-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 116858265

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile (CID 116851937) is 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile is COc1c(C)cc(C)cc1-c1nc(=O)n(C)cc1C#N.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile?
The InChIKey is RHXHGEJXQDZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-5-10(2)14(20-4)12(6-9)13-11(7-16)8-18(3)15(19)17-13/h5-6,8H,1-4H3.
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile?
4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 116851937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).