4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H22FN5O2 — CID 86283284

IUPAC4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1nc(N2CCN(C)C3(CCNC(=O)CC3)C2)ncc1F
InChIInChI=1S/C15H22FN5O2/c1-20-7-8-21(14-18-9-11(16)13(19-14)23-2)10-15(20)4-3-12(22)17-6-5-15/h9H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyYHRZXLPUPDOLJH-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.41
Rot. Bonds2

About 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 86283284) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID86283284
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1nc(N2CCN(C)C3(CCNC(=O)CC3)C2)ncc1F
InChIInChI=1S/C15H22FN5O2/c1-20-7-8-21(14-18-9-11(16)13(19-14)23-2)10-15(20)4-3-12(22)17-6-5-15/h9H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyYHRZXLPUPDOLJH-UHFFFAOYSA-N
XLogP0.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 86283284) is 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is COc1nc(N2CCN(C)C3(CCNC(=O)CC3)C2)ncc1F.
What is the InChIKey of 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is YHRZXLPUPDOLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-20-7-8-21(14-18-9-11(16)13(19-14)23-2)10-15(20)4-3-12(22)17-6-5-15/h9H,3-8,10H2,1-2H3,(H,17,22).
What are the key properties of 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 323.37 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 86283284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).