2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine

C16H20N6S — CID 146082608

IUPAC2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
SMILESc1ccc(Sc2nc(N3CCCC3)nc(N3CCCC3)n2)nc1
InChIInChI=1S/C16H20N6S/c1-2-8-17-13(7-1)23-16-19-14(21-9-3-4-10-21)18-15(20-16)22-11-5-6-12-22/h1-2,7-8H,3-6,9-12H2
InChIKeyOIMDSYJAOLLJMS-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.62
Rot. Bonds4

About 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine

2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine (PubChem CID 146082608) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
PubChem CID146082608
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
SMILESc1ccc(Sc2nc(N3CCCC3)nc(N3CCCC3)n2)nc1
InChIInChI=1S/C16H20N6S/c1-2-8-17-13(7-1)23-16-19-14(21-9-3-4-10-21)18-15(20-16)22-11-5-6-12-22/h1-2,7-8H,3-6,9-12H2
InChIKeyOIMDSYJAOLLJMS-UHFFFAOYSA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-morpholin-4-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80920561
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-pyridin-2-ylhydrazine
CID 58865864
2-chloro-4-(2-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
CID 62867554
N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80883568
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 152655143
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 146082613

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine (CID 146082608) is 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine is c1ccc(Sc2nc(N3CCCC3)nc(N3CCCC3)n2)nc1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is OIMDSYJAOLLJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-2-8-17-13(7-1)23-16-19-14(21-9-3-4-10-21)18-15(20-16)22-11-5-6-12-22/h1-2,7-8H,3-6,9-12H2.
What are the key properties of 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 328.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 146082608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).