N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide

C20H24N6O3 — CID 109326640

IUPACN-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C20H24N6O3/c1-13-12-18(19(29)23-17-6-4-16(5-7-17)22-14(2)27)24-20(21-13)26-10-8-25(9-11-26)15(3)28/h4-7,12H,8-11H2,1-3H3,(H,22,27)(H,23,29)
InChIKeyCPNLQCCTCAHGFT-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.66
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide

N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109326640) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109326640
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C20H24N6O3/c1-13-12-18(19(29)23-17-6-4-16(5-7-17)22-14(2)27)24-20(21-13)26-10-8-25(9-11-26)15(3)28/h4-7,12H,8-11H2,1-3H3,(H,22,27)(H,23,29)
InChIKeyCPNLQCCTCAHGFT-UHFFFAOYSA-N
XLogP1.66
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326599
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325780
6-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109325784
2-(4-acetylpiperazin-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326608
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326101
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109326640) is N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N3CCN(C(C)=O)CC3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CPNLQCCTCAHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-12-18(19(29)23-17-6-4-16(5-7-17)22-14(2)27)24-20(21-13)26-10-8-25(9-11-26)15(3)28/h4-7,12H,8-11H2,1-3H3,(H,22,27)(H,23,29).
What are the key properties of N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.66, 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-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).