5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine

C12H18FN3O2 — CID 80872902

IUPAC5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCOCC2)n1
InChIInChI=1S/C12H18FN3O2/c1-2-5-14-12-15-8-10(13)11(16-12)18-9-3-6-17-7-4-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyZQUWMKJSWVFXHC-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.00
Rot. Bonds5

About 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine

5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine (PubChem CID 80872902) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
PubChem CID80872902
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCOCC2)n1
InChIInChI=1S/C12H18FN3O2/c1-2-5-14-12-15-8-10(13)11(16-12)18-9-3-6-17-7-4-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyZQUWMKJSWVFXHC-UHFFFAOYSA-N
XLogP2.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 114342894
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
5-fluoro-4-(2-methylbut-3-yn-2-yloxy)-N-propylpyrimidin-2-amine
CID 113461420
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 142517727

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine (CID 80872902) is 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(OC2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine?
The InChIKey is ZQUWMKJSWVFXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-2-5-14-12-15-8-10(13)11(16-12)18-9-3-6-17-7-4-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine?
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine has a molecular weight of 255.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80872902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).