[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C24H27N5O — CID 56537250

IUPAC[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCN(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H27N5O/c1-3-27(2)21-11-9-20(10-12-21)24(30)29-17-15-28(16-18-29)22-13-14-25-23(26-22)19-7-5-4-6-8-19/h4-14H,3,15-18H2,1-2H3
InChIKeyFGIIDTXGBVZVHF-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.56
Rot. Bonds5

About [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56537250) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56537250
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCN(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H27N5O/c1-3-27(2)21-11-9-20(10-12-21)24(30)29-17-15-28(16-18-29)22-13-14-25-23(26-22)19-7-5-4-6-8-19/h4-14H,3,15-18H2,1-2H3
InChIKeyFGIIDTXGBVZVHF-UHFFFAOYSA-N
XLogP3.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylsulfanylmethyl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537305
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537209
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537558
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537119
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537491
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537246
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537200
(5-chloro-2-fluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56527948
3,4-dimethyl-5-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 75463327
1-ethyl-3-[2-methyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]urea
CID 75463875

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56537250) is [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is CCN(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is FGIIDTXGBVZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-27(2)21-11-9-20(10-12-21)24(30)29-17-15-28(16-18-29)22-13-14-25-23(26-22)19-7-5-4-6-8-19/h4-14H,3,15-18H2,1-2H3.
What are the key properties of [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56537250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).