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

C14H21FN4O — CID 80812888

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C14H21FN4O/c1-2-6-16-14-17-9-10(15)13(18-14)19-7-8-20-12-5-3-4-11(12)19/h9,11-12H,2-8H2,1H3,(H,16,17,18)
InChIKeyXWNXKSPEFIKHAI-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.20
Rot. Bonds4

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80812888) has the molecular formula C14H21FN4O and a molecular weight of 280.35 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-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80812888
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C14H21FN4O/c1-2-6-16-14-17-9-10(15)13(18-14)19-7-8-20-12-5-3-4-11(12)19/h9,11-12H,2-8H2,1H3,(H,16,17,18)
InChIKeyXWNXKSPEFIKHAI-UHFFFAOYSA-N
XLogP2.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.20
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-fluoro-N-propylpyrimidin-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-propylpyrimidin-2-amine (CID 80812888) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-propylpyrimidin-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-propylpyrimidin-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-propylpyrimidin-2-amine is CCCNc1ncc(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-propylpyrimidin-2-amine?
The InChIKey is XWNXKSPEFIKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-2-6-16-14-17-9-10(15)13(18-14)19-7-8-20-12-5-3-4-11(12)19/h9,11-12H,2-8H2,1H3,(H,16,17,18).
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-propylpyrimidin-2-amine?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 2.20, 4 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-propylpyrimidin-2-amine is sourced from PubChem (CID 80812888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).