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

C23H25N5O — CID 90545410

IUPAC2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c(C)c1
InChIInChI=1S/C23H25N5O/c1-17-8-9-20(18(2)14-17)23(29)26-21-15-22(25-16-24-21)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,26,29)
InChIKeyZRZAKZLUTKLROI-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.67
Rot. Bonds4

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

2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90545410) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90545410
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c(C)c1
InChIInChI=1S/C23H25N5O/c1-17-8-9-20(18(2)14-17)23(29)26-21-15-22(25-16-24-21)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,26,29)
InChIKeyZRZAKZLUTKLROI-UHFFFAOYSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544115
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide
CID 90545379
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90545410) is 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is Cc1ccc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is ZRZAKZLUTKLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-8-9-20(18(2)14-17)23(29)26-21-15-22(25-16-24-21)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,26,29).
What are the key properties of 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 387.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90545410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).