2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine

C14H19N5S — CID 22999

IUPAC2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C14H19N5S/c1-4-15-12-17-13(16-5-2)19-14(18-12)20-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyXSHBZAJOHMTUND-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.19
Rot. Bonds6

About 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 22999) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID22999
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C14H19N5S/c1-4-15-12-17-13(16-5-2)19-14(18-12)20-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyXSHBZAJOHMTUND-UHFFFAOYSA-N
XLogP3.19
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 141495635
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 22999) is 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(Sc2ccc(C)cc2)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XSHBZAJOHMTUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-4-15-12-17-13(16-5-2)19-14(18-12)20-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).