N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H20N4O2 — CID 109340332

IUPACN-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCC(C)C)ncn2)c1
InChIInChI=1S/C17H20N4O2/c1-11(2)9-18-16-8-15(19-10-20-16)17(23)21-14-6-4-5-13(7-14)12(3)22/h4-8,10-11H,9H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyJENGBLLEHXJCRT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.00
Rot. Bonds6

About N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109340332) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109340332
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCC(C)C)ncn2)c1
InChIInChI=1S/C17H20N4O2/c1-11(2)9-18-16-8-15(19-10-20-16)17(23)21-14-6-4-5-13(7-14)12(3)22/h4-8,10-11H,9H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyJENGBLLEHXJCRT-UHFFFAOYSA-N
XLogP3.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340312
6-(2-methylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109340331
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
N-(3-acetylphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342599
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109358316
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109340332) is N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(NCC(C)C)ncn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is JENGBLLEHXJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)9-18-16-8-15(19-10-20-16)17(23)21-14-6-4-5-13(7-14)12(3)22/h4-8,10-11H,9H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).