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

C20H25N5O2 — CID 109326599

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(C)cc(C(=O)Nc3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C20H25N5O2/c1-13-5-6-17(14(2)11-13)22-19(27)18-12-15(3)21-20(23-18)25-9-7-24(8-10-25)16(4)26/h5-6,11-12H,7-10H2,1-4H3,(H,22,27)
InChIKeyVLPNRQXIPLCCIT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.32
Rot. Bonds3

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

2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109326599) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109326599
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(C)cc(C(=O)Nc3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C20H25N5O2/c1-13-5-6-17(14(2)11-13)22-19(27)18-12-15(3)21-20(23-18)25-9-7-24(8-10-25)16(4)26/h5-6,11-12H,7-10H2,1-4H3,(H,22,27)
InChIKeyVLPNRQXIPLCCIT-UHFFFAOYSA-N
XLogP2.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331799
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360
2-(4-acetylpiperazin-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326608
N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323015
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468
N-(2,4-dimethylphenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 121032031
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331800
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
2-(azepan-1-yl)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334416

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109326599) is 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is CC(=O)N1CCN(c2nc(C)cc(C(=O)Nc3ccc(C)cc3C)n2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VLPNRQXIPLCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-5-6-17(14(2)11-13)22-19(27)18-12-15(3)21-20(23-18)25-9-7-24(8-10-25)16(4)26/h5-6,11-12H,7-10H2,1-4H3,(H,22,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).