N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide

C17H20N4O2 — CID 109353333

IUPACN-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ncn1
InChIInChI=1S/C17H20N4O2/c1-4-21(5-2)16-10-15(18-11-19-16)17(23)20-14-8-6-7-13(9-14)12(3)22/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCXLCSFYRWWOGDV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds6

About N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109353333) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109353333
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ncn1
InChIInChI=1S/C17H20N4O2/c1-4-21(5-2)16-10-15(18-11-19-16)17(23)20-14-8-6-7-13(9-14)12(3)22/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCXLCSFYRWWOGDV-UHFFFAOYSA-N
XLogP2.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109353352
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340332
1-[3-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860525
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
methyl 3-[[6-[benzyl(methyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109347849
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide (CID 109353333) is N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ncn1.
What is the InChIKey of N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is CXLCSFYRWWOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-21(5-2)16-10-15(18-11-19-16)17(23)20-14-8-6-7-13(9-14)12(3)22/h6-11H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).