6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine

C13H13ClN4O — CID 25184908

IUPAC6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine
SMILESC=CCOc1nc(-c2ccc(N)cn2)nc(C)c1Cl
InChIInChI=1S/C13H13ClN4O/c1-3-6-19-13-11(14)8(2)17-12(18-13)10-5-4-9(15)7-16-10/h3-5,7H,1,6,15H2,2H3
InChIKeyZVEUYESFFDDKJJ-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.65
Rot. Bonds4

About 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine

6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine (PubChem CID 25184908) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine
PubChem CID25184908
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine
SMILESC=CCOc1nc(-c2ccc(N)cn2)nc(C)c1Cl
InChIInChI=1S/C13H13ClN4O/c1-3-6-19-13-11(14)8(2)17-12(18-13)10-5-4-9(15)7-16-10/h3-5,7H,1,6,15H2,2H3
InChIKeyZVEUYESFFDDKJJ-UHFFFAOYSA-N
XLogP2.65
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine?
The IUPAC name of 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine (CID 25184908) is 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine is C=CCOc1nc(-c2ccc(N)cn2)nc(C)c1Cl.
What is the InChIKey of 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine?
The InChIKey is ZVEUYESFFDDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-3-6-19-13-11(14)8(2)17-12(18-13)10-5-4-9(15)7-16-10/h3-5,7H,1,6,15H2,2H3.
What are the key properties of 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine?
6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine has a molecular weight of 276.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-4-methyl-6-prop-2-enoxypyrimidin-2-yl)pyridin-3-amine is sourced from PubChem (CID 25184908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).