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

C21H23N7O — CID 109280389

IUPAC[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(CNc2cnc(C(=O)N3CCN(c4ncccn4)CC3)cn2)c1
InChIInChI=1S/C21H23N7O/c1-16-4-2-5-17(12-16)13-25-19-15-24-18(14-26-19)20(29)27-8-10-28(11-9-27)21-22-6-3-7-23-21/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,26)
InChIKeyIYHLMGPZSQOZTP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.15
Rot. Bonds5

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

[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109280389) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109280389
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(CNc2cnc(C(=O)N3CCN(c4ncccn4)CC3)cn2)c1
InChIInChI=1S/C21H23N7O/c1-16-4-2-5-17(12-16)13-25-19-15-24-18(14-26-19)20(29)27-8-10-28(11-9-27)21-22-6-3-7-23-21/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,26)
InChIKeyIYHLMGPZSQOZTP-UHFFFAOYSA-N
XLogP2.15
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280403
[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109347052
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109370979
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108961846
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
1-[4-[5-[(3-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947003
[5-(propan-2-ylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109271423
[5-(3-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194522
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109281692

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109280389) is [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cccc(CNc2cnc(C(=O)N3CCN(c4ncccn4)CC3)cn2)c1.
What is the InChIKey of [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IYHLMGPZSQOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-16-4-2-5-17(12-16)13-25-19-15-24-18(14-26-19)20(29)27-8-10-28(11-9-27)21-22-6-3-7-23-21/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,26).
What are the key properties of [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109280389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).