2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

C13H10N2O2S — CID 86165992

IUPAC2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCOc1nc(SC)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C13H10N2O2S/c1-17-13-14-10-7-5-3-4-6-8(7)11(16)9(10)12(15-13)18-2/h3-6H,1-2H3
InChIKeyIAUCSEFWZXDWKX-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.42
Rot. Bonds2

About 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (PubChem CID 86165992) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
PubChem CID86165992
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCOc1nc(SC)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C13H10N2O2S/c1-17-13-14-10-7-5-3-4-6-8(7)11(16)9(10)12(15-13)18-2/h3-6H,1-2H3
InChIKeyIAUCSEFWZXDWKX-UHFFFAOYSA-N
XLogP2.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 139230796
2-(3-chlorophenyl)-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 86166109
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
CID 135461959
10-(3-methoxyphenyl)-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one
CID 2034808
5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione
CID 102401480
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
1-methoxy-3-phenylindeno[2,1-c]pyridin-9-one
CID 12033898
4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
CID 106513986
10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione
CID 24741760
2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine
CID 13470317
2-chloro-3-methoxynaphthalene-1,4-dione;2,3-dimethoxynaphthalene-1,4-dione
CID 70468705

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (CID 86165992) is 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is COc1nc(SC)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is IAUCSEFWZXDWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-13-14-10-7-5-3-4-6-8(7)11(16)9(10)12(15-13)18-2/h3-6H,1-2H3.
What are the key properties of 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 258.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 86165992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).