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

C10H8ClF3N6S — CID 27713690

IUPAC6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C10H8ClF3N6S/c11-5-1-4(10(12,13)14)2-17-7(5)21-3-6-18-8(15)20-9(16)19-6/h1-2H,3H2,(H4,15,16,18,19,20)
InChIKeyZSEJJEFQSNCOOD-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.40
Rot. Bonds3

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

6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 27713690) has the molecular formula C10H8ClF3N6S and a molecular weight of 336.73 g/mol. Its IUPAC name is 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID27713690
Molecular FormulaC10H8ClF3N6S
Molecular Weight336.73 g/mol
Exact Mass336.02
IUPAC Name6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C10H8ClF3N6S/c11-5-1-4(10(12,13)14)2-17-7(5)21-3-6-18-8(15)20-9(16)19-6/h1-2H,3H2,(H4,15,16,18,19,20)
InChIKeyZSEJJEFQSNCOOD-UHFFFAOYSA-N
XLogP2.40
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 27713690) is 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CSc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZSEJJEFQSNCOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N6S/c11-5-1-4(10(12,13)14)2-17-7(5)21-3-6-18-8(15)20-9(16)19-6/h1-2H,3H2,(H4,15,16,18,19,20).
What are the key properties of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 336.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27713690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).