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

C13H18N6S — CID 102926985

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2cc(C)cc(C)n2)nc(N(C)C)n1
InChIInChI=1S/C13H18N6S/c1-8-6-9(2)15-10(7-8)20-13-17-11(14-3)16-12(18-13)19(4)5/h6-7H,1-5H3,(H,14,16,17,18)
InChIKeyGJMFSFMOPACWAV-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.14
Rot. Bonds4

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

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 102926985) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID102926985
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2cc(C)cc(C)n2)nc(N(C)C)n1
InChIInChI=1S/C13H18N6S/c1-8-6-9(2)15-10(7-8)20-13-17-11(14-3)16-12(18-13)19(4)5/h6-7H,1-5H3,(H,14,16,17,18)
InChIKeyGJMFSFMOPACWAV-UHFFFAOYSA-N
XLogP2.14
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80886555
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 102927066
2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 104604969
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 102927014
2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883010
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890214
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
CID 102926978
2-N,4-N,4-N,6-N-tetramethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80818422
2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807387
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 102926985) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Sc2cc(C)cc(C)n2)nc(N(C)C)n1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GJMFSFMOPACWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-8-6-9(2)15-10(7-8)20-13-17-11(14-3)16-12(18-13)19(4)5/h6-7H,1-5H3,(H,14,16,17,18).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 102926985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).