2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one

C12H12N2O2S — CID 126954535

IUPAC2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(OC2CCSC2)nc2ccccn12
InChIInChI=1S/C12H12N2O2S/c15-12-7-11(16-9-4-6-17-8-9)13-10-3-1-2-5-14(10)12/h1-3,5,7,9H,4,6,8H2
InChIKeyUBTYQKQALSBNKV-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.58
Rot. Bonds2

About 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one

2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126954535) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID126954535
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(OC2CCSC2)nc2ccccn12
InChIInChI=1S/C12H12N2O2S/c15-12-7-11(16-9-4-6-17-8-9)13-10-3-1-2-5-14(10)12/h1-3,5,7,9H,4,6,8H2
InChIKeyUBTYQKQALSBNKV-UHFFFAOYSA-N
XLogP1.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate
CID 10540095
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 10804213
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-methylbenzoate
CID 824944
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
CID 10564684
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62046354
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 81495729
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-(3-methylidene-8-azabicyclo[3.2.1]octan-8-yl)pyrido[1,2-a]pyrimidin-4-one
CID 139023257
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one (CID 126954535) is 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(OC2CCSC2)nc2ccccn12.
What is the InChIKey of 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UBTYQKQALSBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12-7-11(16-9-4-6-17-8-9)13-10-3-1-2-5-14(10)12/h1-3,5,7,9H,4,6,8H2.
What are the key properties of 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one?
2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126954535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).