4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine

C12H19N3O — CID 116722090

IUPAC4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine
SMILESCOC(C(N)Cc1ccnc(N)c1)C1CC1
InChIInChI=1S/C12H19N3O/c1-16-12(9-2-3-9)10(13)6-8-4-5-15-11(14)7-8/h4-5,7,9-10,12H,2-3,6,13H2,1H3,(H2,14,15)
InChIKeyWOQBFUJABFRGRF-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.96
Rot. Bonds5

About 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine

4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine (PubChem CID 116722090) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine
PubChem CID116722090
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine
SMILESCOC(C(N)Cc1ccnc(N)c1)C1CC1
InChIInChI=1S/C12H19N3O/c1-16-12(9-2-3-9)10(13)6-8-4-5-15-11(14)7-8/h4-5,7,9-10,12H,2-3,6,13H2,1H3,(H2,14,15)
InChIKeyWOQBFUJABFRGRF-UHFFFAOYSA-N
XLogP0.96
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine?
The IUPAC name of 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine (CID 116722090) is 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine is COC(C(N)Cc1ccnc(N)c1)C1CC1.
What is the InChIKey of 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine?
The InChIKey is WOQBFUJABFRGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12(9-2-3-9)10(13)6-8-4-5-15-11(14)7-8/h4-5,7,9-10,12H,2-3,6,13H2,1H3,(H2,14,15).
What are the key properties of 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine?
4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 116722090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).