4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine

C13H13F2N3O — CID 80875190

IUPAC4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3O/c1-2-6-16-13-17-7-5-12(18-13)19-9-3-4-10(14)11(15)8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyBKATZMFTPJMZNX-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.37
Rot. Bonds5

About 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine

4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80875190) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80875190
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3O/c1-2-6-16-13-17-7-5-12(18-13)19-9-3-4-10(14)11(15)8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyBKATZMFTPJMZNX-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80875389
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine (CID 80875190) is 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is BKATZMFTPJMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-6-16-13-17-7-5-12(18-13)19-9-3-4-10(14)11(15)8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 265.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80875190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).