4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine

C12H19N3S2 — CID 79966342

IUPAC4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1CSCCS1
InChIInChI=1S/C12H19N3S2/c1-14-10(11-8-16-4-5-17-11)6-9-2-3-15-12(13)7-9/h2-3,7,10-11,14H,4-6,8H2,1H3,(H2,13,15)
InChIKeyBTAQNXUJHDNIKC-UHFFFAOYSA-N
MW269.44 g/mol
LogP1.64
Rot. Bonds4

About 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine

4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 79966342) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID79966342
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1CSCCS1
InChIInChI=1S/C12H19N3S2/c1-14-10(11-8-16-4-5-17-11)6-9-2-3-15-12(13)7-9/h2-3,7,10-11,14H,4-6,8H2,1H3,(H2,13,15)
InChIKeyBTAQNXUJHDNIKC-UHFFFAOYSA-N
XLogP1.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 105259577
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
1-(1,4-dithian-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79965965
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine (CID 79966342) is 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)C1CSCCS1.
What is the InChIKey of 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is BTAQNXUJHDNIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-14-10(11-8-16-4-5-17-11)6-9-2-3-15-12(13)7-9/h2-3,7,10-11,14H,4-6,8H2,1H3,(H2,13,15).
What are the key properties of 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine?
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 269.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 79966342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).