6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C9H11N7S — CID 43301251

IUPAC6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ccc(SCc2nc(N)nc(N)n2)nc1
InChIInChI=1S/C9H11N7S/c10-5-1-2-7(13-3-5)17-4-6-14-8(11)16-9(12)15-6/h1-3H,4,10H2,(H4,11,12,14,15,16)
InChIKeyOFYDISQFSYLPTM-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.31
Rot. Bonds3

About 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 43301251) has the molecular formula C9H11N7S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID43301251
Molecular FormulaC9H11N7S
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ccc(SCc2nc(N)nc(N)n2)nc1
InChIInChI=1S/C9H11N7S/c10-5-1-2-7(13-3-5)17-4-6-14-8(11)16-9(12)15-6/h1-3H,4,10H2,(H4,11,12,14,15,16)
InChIKeyOFYDISQFSYLPTM-UHFFFAOYSA-N
XLogP0.31
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 43301251) is 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Nc1ccc(SCc2nc(N)nc(N)n2)nc1.
What is the InChIKey of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OFYDISQFSYLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7S/c10-5-1-2-7(13-3-5)17-4-6-14-8(11)16-9(12)15-6/h1-3H,4,10H2,(H4,11,12,14,15,16).
What are the key properties of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 249.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 43301251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).