[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109261123

IUPAC[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1C
InChIInChI=1S/C23H25N5O/c1-17-8-9-20(14-18(17)2)26-23-24-15-19(16-25-23)22(29)28-12-10-27(11-13-28)21-6-4-3-5-7-21/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,26)
InChIKeyFEPPGXNIBQNMEG-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.80
Rot. Bonds4

About [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109261123) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109261123
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1C
InChIInChI=1S/C23H25N5O/c1-17-8-9-20(14-18(17)2)26-23-24-15-19(16-25-23)22(29)28-12-10-27(11-13-28)21-6-4-3-5-7-21/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,26)
InChIKeyFEPPGXNIBQNMEG-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254066
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109123155
[2-(3-bromo-4-methylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249324
[2-(2-methylanilino)pyrimidin-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109261992
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109261123) is [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FEPPGXNIBQNMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-8-9-20(14-18(17)2)26-23-24-15-19(16-25-23)22(29)28-12-10-27(11-13-28)21-6-4-3-5-7-21/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,26).
What are the key properties of [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109261123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).