6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine

C16H23N5S — CID 21348603

IUPAC6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccccc1SC)Nc1nc(C)nc(N)n1
InChIInChI=1S/C16H23N5S/c1-4-13(20-16-19-11(2)18-15(17)21-16)10-9-12-7-5-6-8-14(12)22-3/h5-8,13H,4,9-10H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyYGSLFRSVBMARHJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.31
Rot. Bonds7

About 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 21348603) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID21348603
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccccc1SC)Nc1nc(C)nc(N)n1
InChIInChI=1S/C16H23N5S/c1-4-13(20-16-19-11(2)18-15(17)21-16)10-9-12-7-5-6-8-14(12)22-3/h5-8,13H,4,9-10H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyYGSLFRSVBMARHJ-UHFFFAOYSA-N
XLogP3.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

ethyl 2-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]pentyl]benzoate
CID 21348582
2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348659
2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348639
2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348651
2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090905
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
methyl 2-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate
CID 21349336
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 21348569
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21348568
4-chloro-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine;2-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 169424124
2-N-[4-(2,5-dichlorothiophen-3-yl)butan-2-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090881
2-N-[1-(4-ethylsulfanylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965426

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine (CID 21348603) is 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine is CCC(CCc1ccccc1SC)Nc1nc(C)nc(N)n1.
What is the InChIKey of 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YGSLFRSVBMARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-4-13(20-16-19-11(2)18-15(17)21-16)10-9-12-7-5-6-8-14(12)22-3/h5-8,13H,4,9-10H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 317.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).