[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109309526

IUPAC[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1nccc(C(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H25N5O/c1-2-18-8-6-7-11-20(18)25-23-24-13-12-21(26-23)22(29)28-16-14-27(15-17-28)19-9-4-3-5-10-19/h3-13H,2,14-17H2,1H3,(H,24,25,26)
InChIKeyDYWJCXNJQZJPRM-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.74
Rot. Bonds5

About [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109309526) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109309526
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1nccc(C(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H25N5O/c1-2-18-8-6-7-11-20(18)25-23-24-13-12-21(26-23)22(29)28-16-14-27(15-17-28)19-9-4-3-5-10-19/h3-13H,2,14-17H2,1H3,(H,24,25,26)
InChIKeyDYWJCXNJQZJPRM-UHFFFAOYSA-N
XLogP3.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309529
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262
[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
(4-ethylpiperazin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109302632
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109309526) is [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is CCc1ccccc1Nc1nccc(C(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DYWJCXNJQZJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-18-8-6-7-11-20(18)25-23-24-13-12-21(26-23)22(29)28-16-14-27(15-17-28)19-9-4-3-5-10-19/h3-13H,2,14-17H2,1H3,(H,24,25,26).
What are the key properties of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109309526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).