1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one

C20H18ClN5O — CID 141101261

IUPAC1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
SMILESO=C1CNCCN1c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClN5O/c21-15-3-1-14(2-4-15)18-9-10-23-20(25-18)24-16-5-7-17(8-6-16)26-12-11-22-13-19(26)27/h1-10,22H,11-13H2,(H,23,24,25)
InChIKeyCRLOLQARFJQYKZ-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one

1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one (PubChem CID 141101261) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
PubChem CID141101261
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
SMILESO=C1CNCCN1c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClN5O/c21-15-3-1-14(2-4-15)18-9-10-23-20(25-18)24-16-5-7-17(8-6-16)26-12-11-22-13-19(26)27/h1-10,22H,11-13H2,(H,23,24,25)
InChIKeyCRLOLQARFJQYKZ-UHFFFAOYSA-N
XLogP3.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 155281963
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 142946327
1-(4-iodophenyl)piperazin-2-one
CID 86225191
(4-aminopiperidin-1-yl)-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]methanone;ethane
CID 142946360
4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
CID 18545602
(2R)-N-[4-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 70315153
1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
CID 171836331
[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-cyclopentylmethanone
CID 58716733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The IUPAC name of 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one (CID 141101261) is 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one.
What is the SMILES notation for 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The canonical SMILES for 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one is O=C1CNCCN1c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The InChIKey is CRLOLQARFJQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c21-15-3-1-14(2-4-15)18-9-10-23-20(25-18)24-16-5-7-17(8-6-16)26-12-11-22-13-19(26)27/h1-10,22H,11-13H2,(H,23,24,25).
What are the key properties of 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one has a molecular weight of 379.85 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one is sourced from PubChem (CID 141101261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).