N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C19H23N5O2 — CID 109366970

IUPACN-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N3CCN(C)CC3)nc(C)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)15-4-6-16(7-5-15)22-19(26)17-12-18(21-14(2)20-17)24-10-8-23(3)9-11-24/h4-7,12H,8-11H2,1-3H3,(H,22,26)
InChIKeyNGQVAQSEDPTIIV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.99
Rot. Bonds4

About N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109366970) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109366970
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N3CCN(C)CC3)nc(C)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)15-4-6-16(7-5-15)22-19(26)17-12-18(21-14(2)20-17)24-10-8-23(3)9-11-24/h4-7,12H,8-11H2,1-3H3,(H,22,26)
InChIKeyNGQVAQSEDPTIIV-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366926
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366965
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366985
N-(3-fluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366981
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848790
2-methyl-N-(4-methylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373247
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109366970) is N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(N3CCN(C)CC3)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is NGQVAQSEDPTIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(25)15-4-6-16(7-5-15)22-19(26)17-12-18(21-14(2)20-17)24-10-8-23(3)9-11-24/h4-7,12H,8-11H2,1-3H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).