2-ethylsulfanyl-3H-pteridin-4-one

C8H8N4OS — CID 135518616

IUPAC2-ethylsulfanyl-3H-pteridin-4-one
SMILESCCSc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C8H8N4OS/c1-2-14-8-11-6-5(7(13)12-8)9-3-4-10-6/h3-4H,2H2,1H3,(H,10,11,12,13)
InChIKeyOUKAAMGZZVIMMH-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.83
Rot. Bonds2

About 2-ethylsulfanyl-3H-pteridin-4-one

2-ethylsulfanyl-3H-pteridin-4-one (PubChem CID 135518616) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-ethylsulfanyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3H-pteridin-4-one
PubChem CID135518616
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-ethylsulfanyl-3H-pteridin-4-one
SMILESCCSc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C8H8N4OS/c1-2-14-8-11-6-5(7(13)12-8)9-3-4-10-6/h3-4H,2H2,1H3,(H,10,11,12,13)
InChIKeyOUKAAMGZZVIMMH-UHFFFAOYSA-N
XLogP0.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pterin
CID 135398660
4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
Pteridin-4-ol
CID 135460266
6-methyl-2-pivaloylamino-4(3H)-pteridinone
CID 135423678
2-amino-6-hex-1-ynyl-3H-pteridin-4-one
CID 135925131
3-Methyl-2-(methylamino)pteridin-4-one
CID 127048051
7-Methylpterin
CID 135431315
Dimethylpterin
CID 135443570
3-Amino-N-methylpyrazine-2-carboxamide
CID 10820748
2-amino-4-oxo-3H-pteridine-7-carboxamide
CID 136025898
2-amino-N-methyl-4-oxo-3H-pteridine-7-carboxamide
CID 136025899
1-Methyl-7-methylsulfanylpteridine-2,4-dione
CID 822194

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3H-pteridin-4-one?
The IUPAC name of 2-ethylsulfanyl-3H-pteridin-4-one (CID 135518616) is 2-ethylsulfanyl-3H-pteridin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3H-pteridin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3H-pteridin-4-one is CCSc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-3H-pteridin-4-one?
The InChIKey is OUKAAMGZZVIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-2-14-8-11-6-5(7(13)12-8)9-3-4-10-6/h3-4H,2H2,1H3,(H,10,11,12,13).
What are the key properties of 2-ethylsulfanyl-3H-pteridin-4-one?
2-ethylsulfanyl-3H-pteridin-4-one has a molecular weight of 208.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3H-pteridin-4-one is sourced from PubChem (CID 135518616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).