N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

C18H22N6O2 — CID 109253945

IUPACN-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C18H22N6O2/c1-13(25)21-15-3-5-16(6-4-15)22-17(26)14-11-19-18(20-12-14)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyYQGNNJZVKIVCPD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.44
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109253945) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109253945
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C18H22N6O2/c1-13(25)21-15-3-5-16(6-4-15)22-17(26)14-11-19-18(20-12-14)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyYQGNNJZVKIVCPD-UHFFFAOYSA-N
XLogP1.44
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253974
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253915
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109253945) is N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is YQGNNJZVKIVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13(25)21-15-3-5-16(6-4-15)22-17(26)14-11-19-18(20-12-14)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).