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

C13H19FN4O — CID 80812733

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H19FN4O/c1-2-15-13-16-8-9(14)12(17-13)18-6-7-19-11-5-3-4-10(11)18/h8,10-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyMWNOZJUWQXSYQQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.81
Rot. Bonds3

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80812733) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80812733
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H19FN4O/c1-2-15-13-16-8-9(14)12(17-13)18-6-7-19-11-5-3-4-10(11)18/h8,10-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyMWNOZJUWQXSYQQ-UHFFFAOYSA-N
XLogP1.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.81
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)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine (CID 80812733) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-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)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(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)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is MWNOZJUWQXSYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-15-13-16-8-9(14)12(17-13)18-6-7-19-11-5-3-4-10(11)18/h8,10-11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 266.32 g/mol, XLogP of 1.81, 3 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)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80812733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).