6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine

C14H13ClFN3O — CID 116691215

IUPAC6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(Cl)c2F)nc(C2CC2)n1
InChIInChI=1S/C14H13ClFN3O/c1-17-11-7-12(19-14(18-11)8-5-6-8)20-10-4-2-3-9(15)13(10)16/h2-4,7-8H,5-6H2,1H3,(H,17,18,19)
InChIKeyBXCFUAPODXNMOY-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.98
Rot. Bonds4

About 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine

6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 116691215) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID116691215
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(Cl)c2F)nc(C2CC2)n1
InChIInChI=1S/C14H13ClFN3O/c1-17-11-7-12(19-14(18-11)8-5-6-8)20-10-4-2-3-9(15)13(10)16/h2-4,7-8H,5-6H2,1H3,(H,17,18,19)
InChIKeyBXCFUAPODXNMOY-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 116691215) is 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(Oc2cccc(Cl)c2F)nc(C2CC2)n1.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is BXCFUAPODXNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-11-7-12(19-14(18-11)8-5-6-8)20-10-4-2-3-9(15)13(10)16/h2-4,7-8H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine?
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 293.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116691215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).