N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide

C17H22N4O3 — CID 122304435

IUPACN-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
SMILESCCOc1ncc(NC(=O)c2ccc(N(C)C)cc2)c(OCC)n1
InChIInChI=1S/C17H22N4O3/c1-5-23-16-14(11-18-17(20-16)24-6-2)19-15(22)12-7-9-13(10-8-12)21(3)4/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeySDCZNSSJAZQYOS-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.59
Rot. Bonds7

About N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide

N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide (PubChem CID 122304435) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
PubChem CID122304435
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
SMILESCCOc1ncc(NC(=O)c2ccc(N(C)C)cc2)c(OCC)n1
InChIInChI=1S/C17H22N4O3/c1-5-23-16-14(11-18-17(20-16)24-6-2)19-15(22)12-7-9-13(10-8-12)21(3)4/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeySDCZNSSJAZQYOS-UHFFFAOYSA-N
XLogP2.59
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
CID 122304259
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
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)cyclobutanecarboxamide
CID 122304432
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
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)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide (CID 122304435) is N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide is CCOc1ncc(NC(=O)c2ccc(N(C)C)cc2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide?
The InChIKey is SDCZNSSJAZQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-23-16-14(11-18-17(20-16)24-6-2)19-15(22)12-7-9-13(10-8-12)21(3)4/h7-11H,5-6H2,1-4H3,(H,19,22).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide?
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide has a molecular weight of 330.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 122304435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).