4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine

C10H15N3S — CID 131049252

IUPAC4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine
SMILESCC1SCCC1Nc1ccnc(N)c1
InChIInChI=1S/C10H15N3S/c1-7-9(3-5-14-7)13-8-2-4-12-10(11)6-8/h2,4,6-7,9H,3,5H2,1H3,(H3,11,12,13)
InChIKeyOSCYETJIXOTIDC-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.97
Rot. Bonds2

About 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine

4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine (PubChem CID 131049252) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine
PubChem CID131049252
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine
SMILESCC1SCCC1Nc1ccnc(N)c1
InChIInChI=1S/C10H15N3S/c1-7-9(3-5-14-7)13-8-2-4-12-10(11)6-8/h2,4,6-7,9H,3,5H2,1H3,(H3,11,12,13)
InChIKeyOSCYETJIXOTIDC-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine (CID 131049252) is 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine is CC1SCCC1Nc1ccnc(N)c1.
What is the InChIKey of 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine?
The InChIKey is OSCYETJIXOTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-9(3-5-14-7)13-8-2-4-12-10(11)6-8/h2,4,6-7,9H,3,5H2,1H3,(H3,11,12,13).
What are the key properties of 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine?
4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine has a molecular weight of 209.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylthiolan-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 131049252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).