[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109256499

IUPAC[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(Nc1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-18(19-8-4-2-5-9-19)26-23-24-16-20(17-25-23)22(29)28-14-12-27(13-15-28)21-10-6-3-7-11-21/h2-11,16-18H,12-15H2,1H3,(H,24,25,26)
InChIKeyCAEYNXHOWZUQRE-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.61
Rot. Bonds5

About [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109256499) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109256499
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(Nc1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-18(19-8-4-2-5-9-19)26-23-24-16-20(17-25-23)22(29)28-14-12-27(13-15-28)21-10-6-3-7-11-21/h2-11,16-18H,12-15H2,1H3,(H,24,25,26)
InChIKeyCAEYNXHOWZUQRE-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109257022
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
[5-(1-phenylethylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109232912

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109256499) is [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is CC(Nc1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1)c1ccccc1.
What is the InChIKey of [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CAEYNXHOWZUQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-18(19-8-4-2-5-9-19)26-23-24-16-20(17-25-23)22(29)28-14-12-27(13-15-28)21-10-6-3-7-11-21/h2-11,16-18H,12-15H2,1H3,(H,24,25,26).
What are the key properties of [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109256499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).