1-methylthieno[3,4-d]pyrimidine-2,4-dione

C7H6N2O2S — CID 142054366

IUPAC1-methylthieno[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cscc21
InChIInChI=1S/C7H6N2O2S/c1-9-5-3-12-2-4(5)6(10)8-7(9)11/h2-3H,1H3,(H,8,10,11)
InChIKeyAEKCIRZIQCYJTQ-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.29
Rot. Bonds

About 1-methylthieno[3,4-d]pyrimidine-2,4-dione

1-methylthieno[3,4-d]pyrimidine-2,4-dione (PubChem CID 142054366) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-methylthieno[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methylthieno[3,4-d]pyrimidine-2,4-dione
PubChem CID142054366
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1-methylthieno[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cscc21
InChIInChI=1S/C7H6N2O2S/c1-9-5-3-12-2-4(5)6(10)8-7(9)11/h2-3H,1H3,(H,8,10,11)
InChIKeyAEKCIRZIQCYJTQ-UHFFFAOYSA-N
XLogP0.29
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3H-thieno[2,3-d]imidazol-2-one
CID 15470967
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
1-methyl-2,4-dioxoquinazoline-6-carbonitrile
CID 141120562
N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide
CID 141208887
3-methyl-1H-imidazo[4,5-d]pyridazin-2-one
CID 130251235
1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 141001554
3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione
CID 3103863
3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928810
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816
5,6-diamino-3-methyl-1H-benzimidazol-2-one
CID 10910122
1-methyl-5-phenyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 141408853
3-methyl-1,5-dihydroimidazo[4,5-c]pyridine-2,6-dione
CID 154953953

Frequently Asked Questions

What is the IUPAC name of 1-methylthieno[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methylthieno[3,4-d]pyrimidine-2,4-dione (CID 142054366) is 1-methylthieno[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methylthieno[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methylthieno[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2cscc21.
What is the InChIKey of 1-methylthieno[3,4-d]pyrimidine-2,4-dione?
The InChIKey is AEKCIRZIQCYJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-9-5-3-12-2-4(5)6(10)8-7(9)11/h2-3H,1H3,(H,8,10,11).
What are the key properties of 1-methylthieno[3,4-d]pyrimidine-2,4-dione?
1-methylthieno[3,4-d]pyrimidine-2,4-dione has a molecular weight of 182.20 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylthieno[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 142054366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).