6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine

C13H13F2N3 — CID 80945275

IUPAC6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3/c1-2-3-13-17-11(7-12(16)18-13)8-4-5-9(14)10(15)6-8/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyCBXHRZOKTGECML-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.96
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine

6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine (PubChem CID 80945275) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
PubChem CID80945275
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3/c1-2-3-13-17-11(7-12(16)18-13)8-4-5-9(14)10(15)6-8/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyCBXHRZOKTGECML-UHFFFAOYSA-N
XLogP2.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine (CID 80945275) is 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine?
The InChIKey is CBXHRZOKTGECML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-2-3-13-17-11(7-12(16)18-13)8-4-5-9(14)10(15)6-8/h4-7H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine?
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine has a molecular weight of 249.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).