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

C17H21N5O — CID 91967927

IUPAC2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C17H21N5O/c1-13-5-3-4-6-15(13)16(23)20-14-11-18-17(19-12-14)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyISOROUUKYLTTGD-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.79
Rot. Bonds3

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

2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 91967927) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID91967927
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C17H21N5O/c1-13-5-3-4-6-15(13)16(23)20-14-11-18-17(19-12-14)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyISOROUUKYLTTGD-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
2-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299045
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
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-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 91967927) is 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is Cc1ccccc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is ISOROUUKYLTTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-5-3-4-6-15(13)16(23)20-14-11-18-17(19-12-14)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 91967927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).