2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C7H8N2OS — CID 135519034

IUPAC2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C7H8N2OS/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyXBDCXZUSBJYHEP-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.83
Rot. Bonds

About 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 135519034) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID135519034
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C7H8N2OS/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyXBDCXZUSBJYHEP-UHFFFAOYSA-N
XLogP0.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3,5,7,8-tetrahydrothiopyrano(4,3-d)pyrimidine-4-one
CID 135522417
2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 135544537
5-fluoro-4-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136228765
5-fluoro-4-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136228889
2-(tert-butylsulfanylmethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228890
2-(cyclopentylsulfanylmethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136238497
2-(butan-2-ylsulfanylmethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136238499
2-(3,3,3-trifluoropropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136301062
2-(2,2,2-trifluoroethyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136301142
2-(Ethylthio)-5,7-dihydrothieno[3,4-D]pyrimidin-4(3H)-one
CID 135449010
2-Methylsulfanyl-5,7-dihydro-thieno(3,4-D)pyrimidin-4-OL
CID 135498217
2-Methylthiomethyl-4-hydroxy-5,6-dimethylpyrimidine
CID 135815563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 135519034) is 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CSC2.
What is the InChIKey of 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is XBDCXZUSBJYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 168.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135519034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).