2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine

C13H18N6S — CID 154653523

IUPAC2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESCSc1cnc(NCC(C)CNc2cnccn2)nc1
InChIInChI=1S/C13H18N6S/c1-10(5-16-12-9-14-3-4-15-12)6-17-13-18-7-11(20-2)8-19-13/h3-4,7-10H,5-6H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyHMLKBPCOSHGMEG-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.15
Rot. Bonds7

About 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine

2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine (PubChem CID 154653523) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine
PubChem CID154653523
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESCSc1cnc(NCC(C)CNc2cnccn2)nc1
InChIInChI=1S/C13H18N6S/c1-10(5-16-12-9-14-3-4-15-12)6-17-13-18-7-11(20-2)8-19-13/h3-4,7-10H,5-6H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyHMLKBPCOSHGMEG-UHFFFAOYSA-N
XLogP2.15
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The IUPAC name of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine (CID 154653523) is 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine is CSc1cnc(NCC(C)CNc2cnccn2)nc1.
What is the InChIKey of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The InChIKey is HMLKBPCOSHGMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-10(5-16-12-9-14-3-4-15-12)6-17-13-18-7-11(20-2)8-19-13/h3-4,7-10H,5-6H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine?
2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine has a molecular weight of 290.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrazin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 154653523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).