1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione

C9H8N4O2S — CID 142487376

IUPAC1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione
SMILESCSc1ncc(-n2ccc(=O)[nH]c2=O)cn1
InChIInChI=1S/C9H8N4O2S/c1-16-8-10-4-6(5-11-8)13-3-2-7(14)12-9(13)15/h2-5H,1H3,(H,12,14,15)
InChIKeySGEKGPXHFUAAOT-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.04
Rot. Bonds2

About 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione

1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione (PubChem CID 142487376) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione
PubChem CID142487376
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione
SMILESCSc1ncc(-n2ccc(=O)[nH]c2=O)cn1
InChIInChI=1S/C9H8N4O2S/c1-16-8-10-4-6(5-11-8)13-3-2-7(14)12-9(13)15/h2-5H,1H3,(H,12,14,15)
InChIKeySGEKGPXHFUAAOT-UHFFFAOYSA-N
XLogP0.04
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
CID 170164664
(2,4-dioxopyrimidin-1-yl) thiohypoiodite
CID 23446998
1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
CID 170350288
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione
CID 170350446
3-(2,4-dioxopyrimidin-1-yl)benzoic acid
CID 83487310
5-[3-(2,4-dioxopyrimidin-1-yl)quinolin-6-yl]oxypentanal
CID 135261925
(2,4-dioxopyrimidin-1-yl) acetate
CID 57007226
1-bromopyrimidine-2,4-dione
CID 18634533
1-(methylamino)pyrimidine-2,4-dione
CID 68682640
1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione
CID 103057147

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione (CID 142487376) is 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione is CSc1ncc(-n2ccc(=O)[nH]c2=O)cn1.
What is the InChIKey of 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione?
The InChIKey is SGEKGPXHFUAAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-16-8-10-4-6(5-11-8)13-3-2-7(14)12-9(13)15/h2-5H,1H3,(H,12,14,15).
What are the key properties of 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione?
1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione has a molecular weight of 236.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 142487376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).