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

C9H14ClN3O — CID 79615951

IUPAC3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
SMILESCOC(C)C(N)c1cc(Cl)cnc1N
InChIInChI=1S/C9H14ClN3O/c1-5(14-2)8(11)7-3-6(10)4-13-9(7)12/h3-5,8H,11H2,1-2H3,(H2,12,13)
InChIKeyPCHAPXXNHWVBHP-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.35
Rot. Bonds3

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

3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine (PubChem CID 79615951) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
PubChem CID79615951
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
SMILESCOC(C)C(N)c1cc(Cl)cnc1N
InChIInChI=1S/C9H14ClN3O/c1-5(14-2)8(11)7-3-6(10)4-13-9(7)12/h3-5,8H,11H2,1-2H3,(H2,12,13)
InChIKeyPCHAPXXNHWVBHP-UHFFFAOYSA-N
XLogP1.35
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 64539853
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
(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-[2-methoxy-2-methyl-1-(methylamino)propyl]pyridin-2-amine
CID 79198131
3-[amino-(2-methylcyclopropyl)methyl]-5-chloropyridin-2-amine
CID 65421266
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436
5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
CID 102951299
5-chloro-3-(1-hydrazinyl-2-methoxy-2-methylbutyl)pyridin-2-amine
CID 105274490
3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine
CID 65128663

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine?
The IUPAC name of 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine (CID 79615951) is 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine is COC(C)C(N)c1cc(Cl)cnc1N.
What is the InChIKey of 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine?
The InChIKey is PCHAPXXNHWVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-5(14-2)8(11)7-3-6(10)4-13-9(7)12/h3-5,8H,11H2,1-2H3,(H2,12,13).
What are the key properties of 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine?
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine has a molecular weight of 215.68 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 79615951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).