N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide

C21H27N5O — CID 90545334

IUPACN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)C1CCCCC1
InChIInChI=1S/C21H27N5O/c27-21(17-7-3-1-4-8-17)24-19-15-20(23-16-22-19)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h2,5-6,9-10,15-17H,1,3-4,7-8,11-14H2,(H,22,23,24,27)
InChIKeyFHLTVTMWVCJISW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds4

About N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide

N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide (PubChem CID 90545334) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
PubChem CID90545334
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)C1CCCCC1
InChIInChI=1S/C21H27N5O/c27-21(17-7-3-1-4-8-17)24-19-15-20(23-16-22-19)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h2,5-6,9-10,15-17H,1,3-4,7-8,11-14H2,(H,22,23,24,27)
InChIKeyFHLTVTMWVCJISW-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545442
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545446
1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 90545350
1-(3,4-dimethylphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 90545263
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
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
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90544737
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide (CID 90545334) is N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)C1CCCCC1.
What is the InChIKey of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide?
The InChIKey is FHLTVTMWVCJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(17-7-3-1-4-8-17)24-19-15-20(23-16-22-19)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h2,5-6,9-10,15-17H,1,3-4,7-8,11-14H2,(H,22,23,24,27).
What are the key properties of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide?
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 90545334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).