6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C14H19N5S — CID 5303052

IUPAC6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCSCc1nc(N)nc(NCCc2ccccc2)n1
InChIInChI=1S/C14H19N5S/c1-2-20-10-12-17-13(15)19-14(18-12)16-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H3,15,16,17,18,19)
InChIKeyQHPIYLTUYXHMMD-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.36
Rot. Bonds7

About 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 5303052) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID5303052
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCSCc1nc(N)nc(NCCc2ccccc2)n1
InChIInChI=1S/C14H19N5S/c1-2-20-10-12-17-13(15)19-14(18-12)16-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H3,15,16,17,18,19)
InChIKeyQHPIYLTUYXHMMD-UHFFFAOYSA-N
XLogP2.36
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N2-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 200798
4-(Cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile
CID 134147121
s-Triazine, 2-amino-4-butyl-6-(phenethylamino)-
CID 213572
4-methyl-N-(3-phenylpropyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76312350
4-methyl-N-(4-phenylbutyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76330459
4-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76330458
s-Triazine, 4,6-bis(phenethylamino)-2-methyl-
CID 213565
s-Triazine, 4,6-bis(phenethylamino)-2-isopropyl-
CID 213569
1,3,5-Triazin-2-amine, N,4-dimethyl-6-((phenylmethyl)thio)-
CID 3044744
4-(1-Benzylsulfanylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 172440621
4-(1-Benzylsulfanylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 172442944
4-(3-Benzylsulfanylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 172443922

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 5303052) is 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is CCSCc1nc(N)nc(NCCc2ccccc2)n1.
What is the InChIKey of 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QHPIYLTUYXHMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-2-20-10-12-17-13(15)19-14(18-12)16-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfanylmethyl)-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).