2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C21H19Cl2N5O — CID 90545170

IUPAC2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H19Cl2N5O/c22-15-6-7-18(23)17(12-15)21(29)26-19-13-20(25-14-24-19)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,24,25,26,29)
InChIKeyYJDWDGZTODYASO-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.36
Rot. Bonds4

About 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90545170) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90545170
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H19Cl2N5O/c22-15-6-7-18(23)17(12-15)21(29)26-19-13-20(25-14-24-19)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,24,25,26,29)
InChIKeyYJDWDGZTODYASO-UHFFFAOYSA-N
XLogP4.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-[6-(4-phenylpiperazin-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-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide
CID 90545379
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90545170) is 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is YJDWDGZTODYASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c22-15-6-7-18(23)17(12-15)21(29)26-19-13-20(25-14-24-19)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,24,25,26,29).
What are the key properties of 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 428.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90545170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).