(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone

C14H23N5O — CID 109272935

IUPAC(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
SMILESCC(C)CNc1cnc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H23N5O/c1-11(2)8-16-13-10-15-12(9-17-13)14(20)19-6-4-18(3)5-7-19/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyWLCIPZUSHITUTR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.93
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone (PubChem CID 109272935) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
PubChem CID109272935
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
SMILESCC(C)CNc1cnc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H23N5O/c1-11(2)8-16-13-10-15-12(9-17-13)14(20)19-6-4-18(3)5-7-19/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyWLCIPZUSHITUTR-UHFFFAOYSA-N
XLogP0.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272158
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109361943
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272979
[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone (CID 109272935) is (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone is CC(C)CNc1cnc(C(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone?
The InChIKey is WLCIPZUSHITUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)8-16-13-10-15-12(9-17-13)14(20)19-6-4-18(3)5-7-19/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109272935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).