2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C18H23N5O — CID 91967930

IUPAC2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c(C)c1
InChIInChI=1S/C18H23N5O/c1-13-4-5-16(14(2)10-13)17(24)21-15-11-19-18(20-12-15)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyDNLGZSUENNVBTN-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.10
Rot. Bonds3

About 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide

2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 91967930) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID91967930
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c(C)c1
InChIInChI=1S/C18H23N5O/c1-13-4-5-16(14(2)10-13)17(24)21-15-11-19-18(20-12-15)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyDNLGZSUENNVBTN-UHFFFAOYSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345549
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122299077
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122299236
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
4-bromo-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 122299172

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 91967930) is 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is Cc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is DNLGZSUENNVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-4-5-16(14(2)10-13)17(24)21-15-11-19-18(20-12-15)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3,(H,21,24).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 325.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 91967930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).