N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine

C13H18N4S — CID 113244315

IUPACN-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCCSCCC(C)Nc1ccc2nccnc2n1
InChIInChI=1S/C13H18N4S/c1-3-18-9-6-10(2)16-12-5-4-11-13(17-12)15-8-7-14-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16,17)
InChIKeyNAVBQGGRZTXXHI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.97
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine

N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 113244315) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID113244315
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCCSCCC(C)Nc1ccc2nccnc2n1
InChIInChI=1S/C13H18N4S/c1-3-18-9-6-10(2)16-12-5-4-11-13(17-12)15-8-7-14-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16,17)
InChIKeyNAVBQGGRZTXXHI-UHFFFAOYSA-N
XLogP2.97
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pyrido(2,3-b)pyrazine
CID 67580
2,3-Dimethylpyrido[2,3-b]pyrazine
CID 252159
Pyrido[2,3-b]pyrazin-6-amine
CID 246513
6-(2-Phenylsulfanylethyl)pteridine-2,4-diamine
CID 504032
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 4c
CID 5328333
2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-
CID 314654
N6,N6-dimethyl-N4-(pentan-2-yl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 44592519
6-(4a,10a-Dihydrophenothiazin-10-ylmethyl)pteridine-2,4-diamine
CID 49863453
4-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
CID 73353369
4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598685
4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598686
2,4-Pteridinediamine, 6-((phenylamino)methyl)-
CID 428342

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine (CID 113244315) is N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine is CCSCCC(C)Nc1ccc2nccnc2n1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is NAVBQGGRZTXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-18-9-6-10(2)16-12-5-4-11-13(17-12)15-8-7-14-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 262.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 113244315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).