2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine

C14H17N3S — CID 79173041

IUPAC2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N(Cc2ccsc2)C2CC2)ncc1N
InChIInChI=1S/C14H17N3S/c1-10-6-14(16-7-13(10)15)17(12-2-3-12)8-11-4-5-18-9-11/h4-7,9,12H,2-3,8,15H2,1H3
InChIKeyREOHUMCMKMKEIL-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.20
Rot. Bonds4

About 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine

2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 79173041) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
PubChem CID79173041
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N(Cc2ccsc2)C2CC2)ncc1N
InChIInChI=1S/C14H17N3S/c1-10-6-14(16-7-13(10)15)17(12-2-3-12)8-11-4-5-18-9-11/h4-7,9,12H,2-3,8,15H2,1H3
InChIKeyREOHUMCMKMKEIL-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine (CID 79173041) is 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine is Cc1cc(N(Cc2ccsc2)C2CC2)ncc1N.
What is the InChIKey of 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is REOHUMCMKMKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-6-14(16-7-13(10)15)17(12-2-3-12)8-11-4-5-18-9-11/h4-7,9,12H,2-3,8,15H2,1H3.
What are the key properties of 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 259.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).