N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide

C16H19N3O3 — CID 122304252

IUPACN-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
SMILESCCOc1ncc(NC(=O)c2ccccc2C)c(OCC)n1
InChIInChI=1S/C16H19N3O3/c1-4-21-15-13(10-17-16(19-15)22-5-2)18-14(20)12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyPKGZFTFEGDBFDO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.83
Rot. Bonds6

About N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide

N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide (PubChem CID 122304252) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
PubChem CID122304252
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
SMILESCCOc1ncc(NC(=O)c2ccccc2C)c(OCC)n1
InChIInChI=1S/C16H19N3O3/c1-4-21-15-13(10-17-16(19-15)22-5-2)18-14(20)12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyPKGZFTFEGDBFDO-UHFFFAOYSA-N
XLogP2.83
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-(2,4-diethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304384
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
CID 122304259
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 122304590

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide (CID 122304252) is N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide is CCOc1ncc(NC(=O)c2ccccc2C)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide?
The InChIKey is PKGZFTFEGDBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-21-15-13(10-17-16(19-15)22-5-2)18-14(20)12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide?
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide is sourced from PubChem (CID 122304252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).