4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide

C14H15N3O2 — CID 116904079

IUPAC4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
SMILESCOc1c(C)cc(-c2ccnc(C(N)=O)n2)cc1C
InChIInChI=1S/C14H15N3O2/c1-8-6-10(7-9(2)12(8)19-3)11-4-5-16-14(17-11)13(15)18/h4-7H,1-3H3,(H2,15,18)
InChIKeyWZECVABNNJUYFX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.87
Rot. Bonds3

About 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide

4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide (PubChem CID 116904079) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
PubChem CID116904079
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
SMILESCOc1c(C)cc(-c2ccnc(C(N)=O)n2)cc1C
InChIInChI=1S/C14H15N3O2/c1-8-6-10(7-9(2)12(8)19-3)11-4-5-16-14(17-11)13(15)18/h4-7H,1-3H3,(H2,15,18)
InChIKeyWZECVABNNJUYFX-UHFFFAOYSA-N
XLogP1.87
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylpyrimidine-2-carboxamide
CID 68541218
1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901442
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
4-(4-ethylphenyl)pyrimidine-2-carboxamide
CID 116903987
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 174737059
ethyl 4-(3,4-difluorophenyl)pyrimidine-2-carboxylate
CID 116903632
4-iodopyrimidine-2-carboxamide
CID 133055653
1-[4-(3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901517
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide (CID 116904079) is 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide is COc1c(C)cc(-c2ccnc(C(N)=O)n2)cc1C.
What is the InChIKey of 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide?
The InChIKey is WZECVABNNJUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-6-10(7-9(2)12(8)19-3)11-4-5-16-14(17-11)13(15)18/h4-7H,1-3H3,(H2,15,18).
What are the key properties of 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide?
4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 116904079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).