6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine

C13H16ClN3S — CID 114070560

IUPAC6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
SMILESCC(C)C(Nc1cc(N)cc(Cl)n1)c1cccs1
InChIInChI=1S/C13H16ClN3S/c1-8(2)13(10-4-3-5-18-10)17-12-7-9(15)6-11(14)16-12/h3-8,13H,1-2H3,(H3,15,16,17)
InChIKeyPVSVEZKZFSXNBY-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.19
Rot. Bonds4

About 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine

6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine (PubChem CID 114070560) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
PubChem CID114070560
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
SMILESCC(C)C(Nc1cc(N)cc(Cl)n1)c1cccs1
InChIInChI=1S/C13H16ClN3S/c1-8(2)13(10-4-3-5-18-10)17-12-7-9(15)6-11(14)16-12/h3-8,13H,1-2H3,(H3,15,16,17)
InChIKeyPVSVEZKZFSXNBY-UHFFFAOYSA-N
XLogP4.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine
CID 133349950
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
CID 104924061
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80904535

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine (CID 114070560) is 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine is CC(C)C(Nc1cc(N)cc(Cl)n1)c1cccs1.
What is the InChIKey of 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine?
The InChIKey is PVSVEZKZFSXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-8(2)13(10-4-3-5-18-10)17-12-7-9(15)6-11(14)16-12/h3-8,13H,1-2H3,(H3,15,16,17).
What are the key properties of 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine?
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine has a molecular weight of 281.81 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine is sourced from PubChem (CID 114070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).