2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C7H14N6S — CID 118932885

IUPAC2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCN)nc(SC)n1
InChIInChI=1S/C7H14N6S/c1-9-5-11-6(10-4-3-8)13-7(12-5)14-2/h3-4,8H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyPTBPJHPBUFISEO-UHFFFAOYSA-N
MW214.30 g/mol
LogP0.01
Rot. Bonds5

About 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 118932885) has the molecular formula C7H14N6S and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID118932885
Molecular FormulaC7H14N6S
Molecular Weight214.30 g/mol
Exact Mass214.10
IUPAC Name2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCN)nc(SC)n1
InChIInChI=1S/C7H14N6S/c1-9-5-11-6(10-4-3-8)13-7(12-5)14-2/h3-4,8H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyPTBPJHPBUFISEO-UHFFFAOYSA-N
XLogP0.01
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 118932885) is 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(NCCN)nc(SC)n1.
What is the InChIKey of 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PTBPJHPBUFISEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6S/c1-9-5-11-6(10-4-3-8)13-7(12-5)14-2/h3-4,8H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 214.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118932885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).