(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C24H26N4O — CID 50841152

IUPAC(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1
InChIInChI=1S/C24H26N4O/c1-3-19-6-10-21(11-7-19)24(29)28-14-12-27(13-15-28)23-16-22(25-17-26-23)20-8-4-18(2)5-9-20/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyPMFGWKUOSTVQJG-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.98
Rot. Bonds4

About (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 50841152) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID50841152
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1
InChIInChI=1S/C24H26N4O/c1-3-19-6-10-21(11-7-19)24(29)28-14-12-27(13-15-28)23-16-22(25-17-26-23)20-8-4-18(2)5-9-20/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyPMFGWKUOSTVQJG-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56699638
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 56922533
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(4-butoxyphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106904
(4-tert-butylphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107033
(3,5-dimethylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90516881
(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 121106979
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 121107167

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 50841152) is (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is PMFGWKUOSTVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-19-6-10-21(11-7-19)24(29)28-14-12-27(13-15-28)23-16-22(25-17-26-23)20-8-4-18(2)5-9-20/h4-11,16-17H,3,12-15H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 50841152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).