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

C20H25N5O2 — CID 109367760

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCN(C(C)=O)CC2)nc(C)n1
InChIInChI=1S/C20H25N5O2/c1-4-16-7-5-6-8-17(16)23-20(27)18-13-19(22-14(2)21-18)25-11-9-24(10-12-25)15(3)26/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)
InChIKeyVFPXRBISCTWNSL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.27
Rot. Bonds4

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

6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109367760) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109367760
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCN(C(C)=O)CC2)nc(C)n1
InChIInChI=1S/C20H25N5O2/c1-4-16-7-5-6-8-17(16)23-20(27)18-13-19(22-14(2)21-18)25-11-9-24(10-12-25)15(3)26/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)
InChIKeyVFPXRBISCTWNSL-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
6-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109367811
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
6-(4-acetylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109367737
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
ethyl 2-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367561
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109367760) is 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(N2CCN(C(C)=O)CC2)nc(C)n1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is VFPXRBISCTWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-16-7-5-6-8-17(16)23-20(27)18-13-19(22-14(2)21-18)25-11-9-24(10-12-25)15(3)26/h5-8,13H,4,9-12H2,1-3H3,(H,23,27).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).