N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide

C17H20N4O2 — CID 109311253

IUPACN-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(NC(C)(C)C)n2)c1
InChIInChI=1S/C17H20N4O2/c1-11(22)12-6-5-7-13(10-12)19-15(23)14-8-9-18-16(20-14)21-17(2,3)4/h5-10H,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyIHDKNNOZBUWGNM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.14
Rot. Bonds4

About N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide (PubChem CID 109311253) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
PubChem CID109311253
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(NC(C)(C)C)n2)c1
InChIInChI=1S/C17H20N4O2/c1-11(22)12-6-5-7-13(10-12)19-15(23)14-8-9-18-16(20-14)21-17(2,3)4/h5-10H,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyIHDKNNOZBUWGNM-UHFFFAOYSA-N
XLogP3.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308262
2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315486
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109311222
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide (CID 109311253) is N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(NC(C)(C)C)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide?
The InChIKey is IHDKNNOZBUWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(22)12-6-5-7-13(10-12)19-15(23)14-8-9-18-16(20-14)21-17(2,3)4/h5-10H,1-4H3,(H,19,23)(H,18,20,21).
What are the key properties of N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).