3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine

C10H16ClN3S — CID 65128663

IUPAC3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine
SMILESCCCSCC(N)c1cc(Cl)cnc1N
InChIInChI=1S/C10H16ClN3S/c1-2-3-15-6-9(12)8-4-7(11)5-14-10(8)13/h4-5,9H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyQPAZEDTUJPCCSD-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.46
Rot. Bonds5

About 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine

3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine (PubChem CID 65128663) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine
PubChem CID65128663
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine
SMILESCCCSCC(N)c1cc(Cl)cnc1N
InChIInChI=1S/C10H16ClN3S/c1-2-3-15-6-9(12)8-4-7(11)5-14-10(8)13/h4-5,9H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyQPAZEDTUJPCCSD-UHFFFAOYSA-N
XLogP2.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 79052761
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
CID 130664333
5-chloro-3-[(4-methylsulfanylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 106848461
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
5-chloro-3-(1-hydrazinyl-2-methoxy-2-methylbutyl)pyridin-2-amine
CID 105274490
3-[amino-(2-methylcyclopropyl)methyl]-5-chloropyridin-2-amine
CID 65421266

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine?
The IUPAC name of 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine (CID 65128663) is 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine is CCCSCC(N)c1cc(Cl)cnc1N.
What is the InChIKey of 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine?
The InChIKey is QPAZEDTUJPCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-2-3-15-6-9(12)8-4-7(11)5-14-10(8)13/h4-5,9H,2-3,6,12H2,1H3,(H2,13,14).
What are the key properties of 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine?
3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine has a molecular weight of 245.78 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 65128663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).