5-methyl-1-sulfanylpyrimidine-2,4-dione

C5H6N2O2S — CID 54358869

IUPAC5-methyl-1-sulfanylpyrimidine-2,4-dione
SMILESCc1cn(S)c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2S/c1-3-2-7(10)5(9)6-4(3)8/h2,10H,1H3,(H,6,8,9)
InChIKeyULBDBPZJCAAYHR-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.46
Rot. Bonds

About 5-methyl-1-sulfanylpyrimidine-2,4-dione

5-methyl-1-sulfanylpyrimidine-2,4-dione (PubChem CID 54358869) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-methyl-1-sulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-sulfanylpyrimidine-2,4-dione
PubChem CID54358869
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name5-methyl-1-sulfanylpyrimidine-2,4-dione
SMILESCc1cn(S)c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2S/c1-3-2-7(10)5(9)6-4(3)8/h2,10H,1H3,(H,6,8,9)
InChIKeyULBDBPZJCAAYHR-UHFFFAOYSA-N
XLogP-0.46
TPSA54.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N,N-Dimethylthymine
CID 78112
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione
CID 78589
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12692638
5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
CID 54595486
5-(Aminomethyl)pyrimidine-2,4(1H,3H)-dione
CID 15218502
5-Propynyluracil
CID 131813

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-sulfanylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-sulfanylpyrimidine-2,4-dione (CID 54358869) is 5-methyl-1-sulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-sulfanylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-sulfanylpyrimidine-2,4-dione is Cc1cn(S)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-sulfanylpyrimidine-2,4-dione?
The InChIKey is ULBDBPZJCAAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-3-2-7(10)5(9)6-4(3)8/h2,10H,1H3,(H,6,8,9).
What are the key properties of 5-methyl-1-sulfanylpyrimidine-2,4-dione?
5-methyl-1-sulfanylpyrimidine-2,4-dione has a molecular weight of 158.18 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-sulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 54358869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).