5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine

C13H12BrF2N3O — CID 80862949

IUPAC5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12BrF2N3O/c1-2-5-17-13-18-7-9(14)12(19-13)20-11-4-3-8(15)6-10(11)16/h3-4,6-7H,2,5H2,1H3,(H,17,18,19)
InChIKeySIIIUMRUEUKEBR-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.13
Rot. Bonds5

About 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine

5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80862949) has the molecular formula C13H12BrF2N3O and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80862949
Molecular FormulaC13H12BrF2N3O
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12BrF2N3O/c1-2-5-17-13-18-7-9(14)12(19-13)20-11-4-3-8(15)6-10(11)16/h3-4,6-7H,2,5H2,1H3,(H,17,18,19)
InChIKeySIIIUMRUEUKEBR-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773425
3,5-dichloro-6-(2,4-difluorophenoxy)-N-propylpyridin-2-amine
CID 102760578
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine (CID 80862949) is 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(Oc2ccc(F)cc2F)n1.
What is the InChIKey of 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is SIIIUMRUEUKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O/c1-2-5-17-13-18-7-9(14)12(19-13)20-11-4-3-8(15)6-10(11)16/h3-4,6-7H,2,5H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine?
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 344.16 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80862949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).