4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide

C13H13N3O3 — CID 116904018

IUPAC4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc(C(N)=O)n2)c(OC)c1
InChIInChI=1S/C13H13N3O3/c1-18-8-3-4-9(11(7-8)19-2)10-5-6-15-13(16-10)12(14)17/h3-7H,1-2H3,(H2,14,17)
InChIKeyBHISCPPSQFTUQL-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.26
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide

4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide (PubChem CID 116904018) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
PubChem CID116904018
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc(C(N)=O)n2)c(OC)c1
InChIInChI=1S/C13H13N3O3/c1-18-8-3-4-9(11(7-8)19-2)10-5-6-15-13(16-10)12(14)17/h3-7H,1-2H3,(H2,14,17)
InChIKeyBHISCPPSQFTUQL-UHFFFAOYSA-N
XLogP1.26
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901463
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 175424034
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
2-(2,4-dimethoxyphenyl)-6-(2,6-dimethoxyphenyl)pyridine
CID 90670586
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
CID 175424050
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide (CID 116904018) is 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide is COc1ccc(-c2ccnc(C(N)=O)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide?
The InChIKey is BHISCPPSQFTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-8-3-4-9(11(7-8)19-2)10-5-6-15-13(16-10)12(14)17/h3-7H,1-2H3,(H2,14,17).
What are the key properties of 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide?
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 116904018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).