3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C10H12N2O3S — CID 82342099

IUPAC3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(CCCO)c(=O)[nH]c2s1
InChIInChI=1S/C10H12N2O3S/c1-6-5-7-8(16-6)11-10(15)12(9(7)14)3-2-4-13/h5,13H,2-4H2,1H3,(H,11,15)
InChIKeyCZLGBXCMYQINME-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.44
Rot. Bonds3

About 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82342099) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82342099
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(CCCO)c(=O)[nH]c2s1
InChIInChI=1S/C10H12N2O3S/c1-6-5-7-8(16-6)11-10(15)12(9(7)14)3-2-4-13/h5,13H,2-4H2,1H3,(H,11,15)
InChIKeyCZLGBXCMYQINME-UHFFFAOYSA-N
XLogP0.44
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 67557929
3-butyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 145497499
3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342140
3-(4-aminobutyl)-6-propan-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82341923
6-methyl-3-(2-phenylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4507745
4-(6-butyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)butanenitrile
CID 82342162
6-ethyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 59351643
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 23259582
7-bromo-3-(4-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 154768685
3-(2,4-dioxo-6-propan-2-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanenitrile
CID 82342072
5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342085
6-methyl-3-[(1-methylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3251158

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82342099) is 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1cc2c(=O)n(CCCO)c(=O)[nH]c2s1.
What is the InChIKey of 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CZLGBXCMYQINME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-6-5-7-8(16-6)11-10(15)12(9(7)14)3-2-4-13/h5,13H,2-4H2,1H3,(H,11,15).
What are the key properties of 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 240.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82342099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).