N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

C17H21N5O2 — CID 109344178

IUPACN-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NCCN(C)C)ncn2)cc1
InChIInChI=1S/C17H21N5O2/c1-12(23)13-4-6-14(7-5-13)21-17(24)15-10-16(20-11-19-15)18-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,18,19,20)
InChIKeyCFMKJBLKQKJXPI-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.90
Rot. Bonds7

About N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109344178) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
PubChem CID109344178
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NCCN(C)C)ncn2)cc1
InChIInChI=1S/C17H21N5O2/c1-12(23)13-4-6-14(7-5-13)21-17(24)15-10-16(20-11-19-15)18-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,18,19,20)
InChIKeyCFMKJBLKQKJXPI-UHFFFAOYSA-N
XLogP1.90
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344173
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344223
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344839
4-[[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192862
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
methyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109354250
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (CID 109344178) is N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(NCCN(C)C)ncn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is CFMKJBLKQKJXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(23)13-4-6-14(7-5-13)21-17(24)15-10-16(20-11-19-15)18-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,18,19,20).
What are the key properties of N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).