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

C17H21N5O2 — CID 71790006

IUPAC3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1
InChIInChI=1S/C17H21N5O2/c1-21-6-8-22(9-7-21)17-18-11-14(12-19-17)20-16(23)13-4-3-5-15(10-13)24-2/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)
InChIKeyVJAFIESLTIFZKH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.49
Rot. Bonds4

About 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide

3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 71790006) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID71790006
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1
InChIInChI=1S/C17H21N5O2/c1-21-6-8-22(9-7-21)17-18-11-14(12-19-17)20-16(23)13-4-3-5-15(10-13)24-2/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)
InChIKeyVJAFIESLTIFZKH-UHFFFAOYSA-N
XLogP1.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122299077
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122299236
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 71790006) is 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is COc1cccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is VJAFIESLTIFZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-6-8-22(9-7-21)17-18-11-14(12-19-17)20-16(23)13-4-3-5-15(10-13)24-2/h3-5,10-12H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 71790006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).