5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine

C13H20FN3O — CID 66000399

IUPAC5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCOC2)nc(C)c1F
InChIInChI=1S/C13H20FN3O/c1-3-6-15-13-11(14)9(2)16-12(17-13)10-5-4-7-18-8-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyYFALQFYBDXIZBP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.64
Rot. Bonds4

About 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine

5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 66000399) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine
PubChem CID66000399
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCOC2)nc(C)c1F
InChIInChI=1S/C13H20FN3O/c1-3-6-15-13-11(14)9(2)16-12(17-13)10-5-4-7-18-8-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyYFALQFYBDXIZBP-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine (CID 66000399) is 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCCOC2)nc(C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is YFALQFYBDXIZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-6-15-13-11(14)9(2)16-12(17-13)10-5-4-7-18-8-10/h10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine?
5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 253.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66000399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).