N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

C21H21N5O — CID 109261157

IUPACN-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C21H21N5O/c27-20(24-18-7-3-1-4-8-18)17-15-22-21(23-16-17)26-13-11-25(12-14-26)19-9-5-2-6-10-19/h1-10,15-16H,11-14H2,(H,24,27)
InChIKeyRHKUVRLFTRUURD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.06
Rot. Bonds4

About N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109261157) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109261157
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C21H21N5O/c27-20(24-18-7-3-1-4-8-18)17-15-22-21(23-16-17)26-13-11-25(12-14-26)19-9-5-2-6-10-19/h1-10,15-16H,11-14H2,(H,24,27)
InChIKeyRHKUVRLFTRUURD-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
CID 122299402
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109261157) is N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RHKUVRLFTRUURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-20(24-18-7-3-1-4-8-18)17-15-22-21(23-16-17)26-13-11-25(12-14-26)19-9-5-2-6-10-19/h1-10,15-16H,11-14H2,(H,24,27).
What are the key properties of N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).