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

C11H12Cl2N6S — CID 2214415

IUPAC6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C11H12Cl2N6S/c1-19(2)11-17-8(16-10(14)18-11)5-20-9-7(13)3-6(12)4-15-9/h3-4H,5H2,1-2H3,(H2,14,16,17,18)
InChIKeyVNNORQOEJZTVAY-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.51
Rot. Bonds4

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

6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 2214415) has the molecular formula C11H12Cl2N6S and a molecular weight of 331.23 g/mol. Its IUPAC name is 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID2214415
Molecular FormulaC11H12Cl2N6S
Molecular Weight331.23 g/mol
Exact Mass330.02
IUPAC Name6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C11H12Cl2N6S/c1-19(2)11-17-8(16-10(14)18-11)5-20-9-7(13)3-6(12)4-15-9/h3-4H,5H2,1-2H3,(H2,14,16,17,18)
InChIKeyVNNORQOEJZTVAY-UHFFFAOYSA-N
XLogP2.51
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N,N-dimethyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 1253709
6-Chloro-2-[(4-chloro-2-pyridyl)methylsulfanyl]pyrimidin-4-amine
CID 492712
4-(1-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}ethyl)-2-pyrimidinamine
CID 3739211
2-[(3-Chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine
CID 23293858
4-Chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine
CID 23293890
2-[(4-Chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine
CID 53751346
6-Chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoropyrimidin-4-amine
CID 141591376
3-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 3659201
4-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyrimidin-2-amine
CID 7019487
4-[(1S)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyrimidin-2-amine
CID 7036986
6-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 27713690
6-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 47017854

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 2214415) is 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VNNORQOEJZTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N6S/c1-19(2)11-17-8(16-10(14)18-11)5-20-9-7(13)3-6(12)4-15-9/h3-4H,5H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 331.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichloro-2-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2214415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).