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

C12H17FN4O — CID 80812809

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C12H17FN4O/c1-14-12-15-7-8(13)11(16-12)17-5-6-18-10-4-2-3-9(10)17/h7,9-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyZCNWNBYLYKBZPW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.42
Rot. Bonds2

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80812809) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80812809
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C12H17FN4O/c1-14-12-15-7-8(13)11(16-12)17-5-6-18-10-4-2-3-9(10)17/h7,9-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyZCNWNBYLYKBZPW-UHFFFAOYSA-N
XLogP1.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine with MolForge

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Related Compounds

CID 3121396
CID 3121396
CID 50949745
CID 50949745
CID 125184210
CID 125184210
CID 171359687
CID 171359687
CID 79081828
CID 79081828
CID 80764372
CID 80764372
CID 80766838
CID 80766838
CID 80787148
CID 80787148
CID 141614985
CID 141614985
CID 169200516
CID 169200516
CID 169200764
CID 169200764
CID 169200817
CID 169200817

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-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80812809) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-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-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(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-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is ZCNWNBYLYKBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-14-12-15-7-8(13)11(16-12)17-5-6-18-10-4-2-3-9(10)17/h7,9-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 252.29 g/mol, XLogP of 1.42, 2 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-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80812809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).