1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine

C12H17FN4O — CID 136571599

IUPAC1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
SMILESCCc1ncnc(N2CC(NC3COC3)C2)c1F
InChIInChI=1S/C12H17FN4O/c1-2-10-11(13)12(15-7-14-10)17-3-8(4-17)16-9-5-18-6-9/h7-9,16H,2-6H2,1H3
InChIKeyXTSBUQYBPCCVRV-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.36
Rot. Bonds4

About 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine

1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine (PubChem CID 136571599) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
PubChem CID136571599
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
SMILESCCc1ncnc(N2CC(NC3COC3)C2)c1F
InChIInChI=1S/C12H17FN4O/c1-2-10-11(13)12(15-7-14-10)17-3-8(4-17)16-9-5-18-6-9/h7-9,16H,2-6H2,1H3
InChIKeyXTSBUQYBPCCVRV-UHFFFAOYSA-N
XLogP0.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine?
The IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine (CID 136571599) is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine.
What is the SMILES notation for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine?
The canonical SMILES for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine is CCc1ncnc(N2CC(NC3COC3)C2)c1F.
What is the InChIKey of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine?
The InChIKey is XTSBUQYBPCCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-2-10-11(13)12(15-7-14-10)17-3-8(4-17)16-9-5-18-6-9/h7-9,16H,2-6H2,1H3.
What are the key properties of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine?
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine has a molecular weight of 252.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine is sourced from PubChem (CID 136571599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).