4-(2,4-dimethoxypyrimidin-5-yl)benzamide

C13H13N3O3 — CID 56704101

IUPAC4-(2,4-dimethoxypyrimidin-5-yl)benzamide
SMILESCOc1ncc(-c2ccc(C(N)=O)cc2)c(OC)n1
InChIInChI=1S/C13H13N3O3/c1-18-12-10(7-15-13(16-12)19-2)8-3-5-9(6-4-8)11(14)17/h3-7H,1-2H3,(H2,14,17)
InChIKeyYHBCNFNTGQCRGJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.26
Rot. Bonds4

About 4-(2,4-dimethoxypyrimidin-5-yl)benzamide

4-(2,4-dimethoxypyrimidin-5-yl)benzamide (PubChem CID 56704101) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(2,4-dimethoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-(2,4-dimethoxypyrimidin-5-yl)benzamide
PubChem CID56704101
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name4-(2,4-dimethoxypyrimidin-5-yl)benzamide
SMILESCOc1ncc(-c2ccc(C(N)=O)cc2)c(OC)n1
InChIInChI=1S/C13H13N3O3/c1-18-12-10(7-15-13(16-12)19-2)8-3-5-9(6-4-8)11(14)17/h3-7H,1-2H3,(H2,14,17)
InChIKeyYHBCNFNTGQCRGJ-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

N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide
CID 2322521
4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3232748
N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide
CID 56719172
2-(2,4-Dimethoxypyrimidin-5-yl)benzaldehyde
CID 155530557
[2-(Benzylamino) pyrimidin-5-yl](4-methoxyphenyl) methanone
CID 124112166
US10308615, Example 59
CID 124112188
[2-(Benzylamino) pyrimidin-5-yl](3-methoxyphenyl) methanone
CID 124112210
2-Methoxy-5-(pyrimidin-5-yl)benzaldehyde
CID 10727355
4-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N-methylbenzamide
CID 33992588
Pyrimidine, 4-methoxy-5-phenyl-
CID 13861005
3-(2,4-Dimethoxy-5-pyrimidinyl)-1-phenyl-2-propyn-1-one
CID 393732
US10308615, Example 160
CID 134539243

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)benzamide?
The IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)benzamide (CID 56704101) is 4-(2,4-dimethoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-(2,4-dimethoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 4-(2,4-dimethoxypyrimidin-5-yl)benzamide is COc1ncc(-c2ccc(C(N)=O)cc2)c(OC)n1.
What is the InChIKey of 4-(2,4-dimethoxypyrimidin-5-yl)benzamide?
The InChIKey is YHBCNFNTGQCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-12-10(7-15-13(16-12)19-2)8-3-5-9(6-4-8)11(14)17/h3-7H,1-2H3,(H2,14,17).
What are the key properties of 4-(2,4-dimethoxypyrimidin-5-yl)benzamide?
4-(2,4-dimethoxypyrimidin-5-yl)benzamide 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-dimethoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 56704101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).