4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine

C17H15F2N3 — CID 15864232

IUPAC4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2ccc(F)c3cccc(F)c23)nc(N)n1
InChIInChI=1S/C17H15F2N3/c1-9(2)14-8-15(22-17(20)21-14)11-6-7-12(18)10-4-3-5-13(19)16(10)11/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyWCLAOJVTZRBYAI-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.28
Rot. Bonds2

About 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine

4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 15864232) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID15864232
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2ccc(F)c3cccc(F)c23)nc(N)n1
InChIInChI=1S/C17H15F2N3/c1-9(2)14-8-15(22-17(20)21-14)11-6-7-12(18)10-4-3-5-13(19)16(10)11/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyWCLAOJVTZRBYAI-UHFFFAOYSA-N
XLogP4.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine (CID 15864232) is 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2ccc(F)c3cccc(F)c23)nc(N)n1.
What is the InChIKey of 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is WCLAOJVTZRBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-9(2)14-8-15(22-17(20)21-14)11-6-7-12(18)10-4-3-5-13(19)16(10)11/h3-9H,1-2H3,(H2,20,21,22).
What are the key properties of 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 299.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 15864232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).