[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109255963

IUPAC[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(CNc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C23H25N5O/c1-18-6-5-7-19(14-18)15-24-23-25-16-20(17-26-23)22(29)28-12-10-27(11-13-28)21-8-3-2-4-9-21/h2-9,14,16-17H,10-13,15H2,1H3,(H,24,25,26)
InChIKeyOSNYCCXSXVDOTM-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.36
Rot. Bonds5

About [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109255963) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109255963
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(CNc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C23H25N5O/c1-18-6-5-7-19(14-18)15-24-23-25-16-20(17-26-23)22(29)28-12-10-27(11-13-28)21-8-3-2-4-9-21/h2-9,14,16-17H,10-13,15H2,1H3,(H,24,25,26)
InChIKeyOSNYCCXSXVDOTM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254305
[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
CID 109248684
[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109257022
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(2-methylanilino)pyrimidin-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109261992
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
[4-(benzylamino)-3-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579354

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109255963) is [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cccc(CNc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1.
What is the InChIKey of [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is OSNYCCXSXVDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-18-6-5-7-19(14-18)15-24-23-25-16-20(17-26-23)22(29)28-12-10-27(11-13-28)21-8-3-2-4-9-21/h2-9,14,16-17H,10-13,15H2,1H3,(H,24,25,26).
What are the key properties of [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109255963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).