7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine

C16H15FN4O2 — CID 53251821

IUPAC7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
SMILESNC1=NC2(c3cc(-c4cncnc4)ccc3F)COCC2CO1
InChIInChI=1S/C16H15FN4O2/c17-14-2-1-10(11-4-19-9-20-5-11)3-13(14)16-8-22-6-12(16)7-23-15(18)21-16/h1-5,9,12H,6-8H2,(H2,18,21)
InChIKeyUTEHAKYLLSBQSR-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.47
Rot. Bonds2

About 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine

7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine (PubChem CID 53251821) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine.

Molecular Properties

Compound Name7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
PubChem CID53251821
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
SMILESNC1=NC2(c3cc(-c4cncnc4)ccc3F)COCC2CO1
InChIInChI=1S/C16H15FN4O2/c17-14-2-1-10(11-4-19-9-20-5-11)3-13(14)16-8-22-6-12(16)7-23-15(18)21-16/h1-5,9,12H,6-8H2,(H2,18,21)
InChIKeyUTEHAKYLLSBQSR-UHFFFAOYSA-N
XLogP1.47
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
The IUPAC name of 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine (CID 53251821) is 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine.
What is the SMILES notation for 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
The canonical SMILES for 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine is NC1=NC2(c3cc(-c4cncnc4)ccc3F)COCC2CO1.
What is the InChIKey of 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
The InChIKey is UTEHAKYLLSBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-14-2-1-10(11-4-19-9-20-5-11)3-13(14)16-8-22-6-12(16)7-23-15(18)21-16/h1-5,9,12H,6-8H2,(H2,18,21).
What are the key properties of 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine has a molecular weight of 314.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine is sourced from PubChem (CID 53251821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).