2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

C9H13N7S2 — CID 80886277

IUPAC2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2nnc(C)s2)nc(N(C)C)n1
InChIInChI=1S/C9H13N7S2/c1-5-14-15-9(17-5)18-8-12-6(10-2)11-7(13-8)16(3)4/h1-4H3,(H,10,11,12,13)
InChIKeyOKBXRIOEZMZZTK-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.29
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80886277) has the molecular formula C9H13N7S2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID80886277
Molecular FormulaC9H13N7S2
Molecular Weight283.39 g/mol
Exact Mass283.07
IUPAC Name2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2nnc(C)s2)nc(N(C)C)n1
InChIInChI=1S/C9H13N7S2/c1-5-14-15-9(17-5)18-8-12-6(10-2)11-7(13-8)16(3)4/h1-4H3,(H,10,11,12,13)
InChIKeyOKBXRIOEZMZZTK-UHFFFAOYSA-N
XLogP1.29
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (CID 80886277) is 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Sc2nnc(C)s2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OKBXRIOEZMZZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S2/c1-5-14-15-9(17-5)18-8-12-6(10-2)11-7(13-8)16(3)4/h1-4H3,(H,10,11,12,13).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 283.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80886277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).