4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine

C11H15FN4O — CID 80812727

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C11H15FN4O/c12-7-6-14-11(13)15-10(7)16-4-5-17-9-3-1-2-8(9)16/h6,8-9H,1-5H2,(H2,13,14,15)
InChIKeyMAEYUGJDAVRYPU-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.96
Rot. Bonds1

About 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80812727) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID80812727
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C11H15FN4O/c12-7-6-14-11(13)15-10(7)16-4-5-17-9-3-1-2-8(9)16/h6,8-9H,1-5H2,(H2,13,14,15)
InChIKeyMAEYUGJDAVRYPU-UHFFFAOYSA-N
XLogP0.96
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine (CID 80812727) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(N2CCOC3CCCC32)n1.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is MAEYUGJDAVRYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-7-6-14-11(13)15-10(7)16-4-5-17-9-3-1-2-8(9)16/h6,8-9H,1-5H2,(H2,13,14,15).
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 238.27 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80812727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).