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

C24H26N4O2 — CID 108759809

IUPAC(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)nc(C)n3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-3-30-21-11-9-20(10-12-21)24(29)28-15-13-27(14-16-28)23-17-22(25-18(2)26-23)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3
InChIKeyNUZSGMMHJDLGIY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.81
Rot. Bonds5

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

(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 108759809) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID108759809
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)nc(C)n3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-3-30-21-11-9-20(10-12-21)24(29)28-15-13-27(14-16-28)23-17-22(25-18(2)26-23)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3
InChIKeyNUZSGMMHJDLGIY-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl [4-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] carbonate
CID 108759769
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108736867
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
(4-ethoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180939
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
(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
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
(4-butoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748457
4-(4-tert-butylphenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 108759867

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 108759809) is (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)nc(C)n3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is NUZSGMMHJDLGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-30-21-11-9-20(10-12-21)24(29)28-15-13-27(14-16-28)23-17-22(25-18(2)26-23)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 402.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108759809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).