5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine

C12H19N3S — CID 80596479

IUPAC5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
SMILESCc1cnc(NCC2CCCCS2)c(N)c1
InChIInChI=1S/C12H19N3S/c1-9-6-11(13)12(14-7-9)15-8-10-4-2-3-5-16-10/h6-7,10H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyMXDLJCQRORGBDK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.67
Rot. Bonds3

About 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine

5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 80596479) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
PubChem CID80596479
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
SMILESCc1cnc(NCC2CCCCS2)c(N)c1
InChIInChI=1S/C12H19N3S/c1-9-6-11(13)12(14-7-9)15-8-10-4-2-3-5-16-10/h6-7,10H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyMXDLJCQRORGBDK-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595606
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
4-methyl-2-N-(thian-2-ylmethyl)benzene-1,2-diamine
CID 80595363
[2-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 66278240
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
3-methyl-5-nitro-N-(thian-2-ylmethyl)pyridin-2-amine
CID 80612568
2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851915
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine (CID 80596479) is 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine is Cc1cnc(NCC2CCCCS2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is MXDLJCQRORGBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-6-11(13)12(14-7-9)15-8-10-4-2-3-5-16-10/h6-7,10H,2-5,8,13H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine?
5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine has a molecular weight of 237.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 80596479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).