4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine

C13H13ClFN3O — CID 116691319

IUPAC4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-7-16-13-17-8-6-11(18-13)19-10-5-3-4-9(14)12(10)15/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyAWVVVAGXWDSQLX-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.88
Rot. Bonds5

About 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine

4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 116691319) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
PubChem CID116691319
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-7-16-13-17-8-6-11(18-13)19-10-5-3-4-9(14)12(10)15/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyAWVVVAGXWDSQLX-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80875389
4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
CID 80880330
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 116691277
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
CID 116691218
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
4-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391757
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine (CID 116691319) is 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is AWVVVAGXWDSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-7-16-13-17-8-6-11(18-13)19-10-5-3-4-9(14)12(10)15/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 281.72 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 116691319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).