(4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H20N4O — CID 2169492

IUPAC(4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H20N4O/c26-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-16H2
InChIKeyQLQHUMIUXHOSBK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.11
Rot. Bonds3

About (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2169492) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2169492
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H20N4O/c26-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-16H2
InChIKeyQLQHUMIUXHOSBK-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mocetinostat
CID 9865515
Momelotinib
CID 25062766
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389180
4-[(4-Fluoro-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132954
4-[(3-{[4-(Pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132953
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
5-acetamido-2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)benzamide
CID 16116849
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2169492) is (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QLQHUMIUXHOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-16H2.
What are the key properties of (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2169492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).