2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C14H17N3OS — CID 80585367

IUPAC2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCCS2)nc2ccccn12
InChIInChI=1S/C14H17N3OS/c18-14-8-11(9-15-10-12-4-3-7-19-12)16-13-5-1-2-6-17(13)14/h1-2,5-6,8,12,15H,3-4,7,9-10H2
InChIKeyREYAWVZARDDSQY-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.68
Rot. Bonds4

About 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 80585367) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID80585367
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCCS2)nc2ccccn12
InChIInChI=1S/C14H17N3OS/c18-14-8-11(9-15-10-12-4-3-7-19-12)16-13-5-1-2-6-17(13)14/h1-2,5-6,8,12,15H,3-4,7,9-10H2
InChIKeyREYAWVZARDDSQY-UHFFFAOYSA-N
XLogP1.68
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672566
2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670561
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
CID 83121210
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100

Frequently Asked Questions

What is the IUPAC name of 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 80585367) is 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCC2CCCS2)nc2ccccn12.
What is the InChIKey of 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is REYAWVZARDDSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14-8-11(9-15-10-12-4-3-7-19-12)16-13-5-1-2-6-17(13)14/h1-2,5-6,8,12,15H,3-4,7,9-10H2.
What are the key properties of 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 275.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 80585367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).