2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C17H21N5O2 — CID 90543765

IUPAC2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-21-7-9-22(10-8-21)16-11-15(18-12-19-16)20-17(23)13-5-3-4-6-14(13)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20,23)
InChIKeyUZHXDDPFMMMTNH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.49
Rot. Bonds4

About 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90543765) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90543765
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-21-7-9-22(10-8-21)16-11-15(18-12-19-16)20-17(23)13-5-3-4-6-14(13)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20,23)
InChIKeyUZHXDDPFMMMTNH-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

Analyze 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90543765) is 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is COc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is UZHXDDPFMMMTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-7-9-22(10-8-21)16-11-15(18-12-19-16)20-17(23)13-5-3-4-6-14(13)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20,23).
What are the key properties of 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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 2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90543765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).