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

C18H25N7O — CID 109286649

IUPAC[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)CCNc1cnc(C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C18H25N7O/c1-14(2)4-7-19-16-13-22-15(12-23-16)17(26)24-8-10-25(11-9-24)18-20-5-3-6-21-18/h3,5-6,12-14H,4,7-11H2,1-2H3,(H,19,23)
InChIKeyXSIQORCSIJLAKG-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.69
Rot. Bonds6

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

[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109286649) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109286649
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)CCNc1cnc(C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C18H25N7O/c1-14(2)4-7-19-16-13-22-15(12-23-16)17(26)24-8-10-25(11-9-24)18-20-5-3-6-21-18/h3,5-6,12-14H,4,7-11H2,1-2H3,(H,19,23)
InChIKeyXSIQORCSIJLAKG-UHFFFAOYSA-N
XLogP1.69
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
[5-(propan-2-ylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109271423
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310655
[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109280389
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109286649) is [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)CCNc1cnc(C(=O)N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XSIQORCSIJLAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-14(2)4-7-19-16-13-22-15(12-23-16)17(26)24-8-10-25(11-9-24)18-20-5-3-6-21-18/h3,5-6,12-14H,4,7-11H2,1-2H3,(H,19,23).
What are the key properties of [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 355.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109286649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).