(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C22H21ClN4O — CID 108759795

IUPAC(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C22H21ClN4O/c1-16-24-20(17-6-3-2-4-7-17)15-21(25-16)26-10-12-27(13-11-26)22(28)18-8-5-9-19(23)14-18/h2-9,14-15H,10-13H2,1H3
InChIKeyQLWIMYRDEKHLRC-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.07
Rot. Bonds3

About (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 108759795) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID108759795
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C22H21ClN4O/c1-16-24-20(17-6-3-2-4-7-17)15-21(25-16)26-10-12-27(13-11-26)22(28)18-8-5-9-19(23)14-18/h2-9,14-15H,10-13H2,1H3
InChIKeyQLWIMYRDEKHLRC-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108736867
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
(3-chlorophenyl)-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473337
(3-chlorophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802457
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
(3-chlorophenyl)-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840767
2-(2,5-dichlorophenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108759858
ethyl [4-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] carbonate
CID 108759769
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 108736956
2-(4-chlorophenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108759860
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 108736884

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 108759795) is (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(-c2ccccc2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is QLWIMYRDEKHLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-16-24-20(17-6-3-2-4-7-17)15-21(25-16)26-10-12-27(13-11-26)22(28)18-8-5-9-19(23)14-18/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 392.89 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108759795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).