6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C15H16N4O2S — CID 94644518

IUPAC6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1noc([C@H](C)SCc2cc(=O)n3c(C)cccc3n2)n1
InChIInChI=1S/C15H16N4O2S/c1-9-5-4-6-13-17-12(7-14(20)19(9)13)8-22-10(2)15-16-11(3)18-21-15/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyCDAHZMGWGIECII-JTQLQIEISA-N
MW316.39 g/mol
LogP2.69
Rot. Bonds4

About 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 94644518) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID94644518
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1noc([C@H](C)SCc2cc(=O)n3c(C)cccc3n2)n1
InChIInChI=1S/C15H16N4O2S/c1-9-5-4-6-13-17-12(7-14(20)19(9)13)8-22-10(2)15-16-11(3)18-21-15/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyCDAHZMGWGIECII-JTQLQIEISA-N
XLogP2.69
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 94644518) is 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1noc([C@H](C)SCc2cc(=O)n3c(C)cccc3n2)n1.
What is the InChIKey of 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CDAHZMGWGIECII-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-5-4-6-13-17-12(7-14(20)19(9)13)8-22-10(2)15-16-11(3)18-21-15/h4-7,10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 316.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 94644518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).