3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C24H27N5O4 — CID 90545207

IUPAC3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc(OC)c1OC
InChIInChI=1S/C24H27N5O4/c1-31-19-13-17(14-20(32-2)23(19)33-3)24(30)27-21-15-22(26-16-25-21)29-11-9-28(10-12-29)18-7-5-4-6-8-18/h4-8,13-16H,9-12H2,1-3H3,(H,25,26,27,30)
InChIKeyWLUAZTLCFKRAAA-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.08
Rot. Bonds7

About 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90545207) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90545207
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc(OC)c1OC
InChIInChI=1S/C24H27N5O4/c1-31-19-13-17(14-20(32-2)23(19)33-3)24(30)27-21-15-22(26-16-25-21)29-11-9-28(10-12-29)18-7-5-4-6-8-18/h4-8,13-16H,9-12H2,1-3H3,(H,25,26,27,30)
InChIKeyWLUAZTLCFKRAAA-UHFFFAOYSA-N
XLogP3.08
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90544408
1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90545207) is 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is COc1cc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is WLUAZTLCFKRAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-31-19-13-17(14-20(32-2)23(19)33-3)24(30)27-21-15-22(26-16-25-21)29-11-9-28(10-12-29)18-7-5-4-6-8-18/h4-8,13-16H,9-12H2,1-3H3,(H,25,26,27,30).
What are the key properties of 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90545207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).