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

C11H15N7S — CID 43299776

IUPAC6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ccncc2N)n1
InChIInChI=1S/C11H15N7S/c1-18(2)11-16-9(15-10(13)17-11)6-19-8-3-4-14-5-7(8)12/h3-5H,6,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyPCPJUTQTSSLZRI-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.79
Rot. Bonds4

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

6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 43299776) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID43299776
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ccncc2N)n1
InChIInChI=1S/C11H15N7S/c1-18(2)11-16-9(15-10(13)17-11)6-19-8-3-4-14-5-7(8)12/h3-5H,6,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyPCPJUTQTSSLZRI-UHFFFAOYSA-N
XLogP0.79
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 41286541
6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 41477279
6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 42584388
2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 46670988
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
6-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 16575634
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 43299740
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 66142138
6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66227987
2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17406340

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 43299776) is 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2ccncc2N)n1.
What is the InChIKey of 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PCPJUTQTSSLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7S/c1-18(2)11-16-9(15-10(13)17-11)6-19-8-3-4-14-5-7(8)12/h3-5H,6,12H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 43299776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).