4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine

C7H8N2S — CID 156555158

IUPAC4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCc1ncnc2c1CSC2
InChIInChI=1S/C7H8N2S/c1-5-6-2-10-3-7(6)9-4-8-5/h4H,2-3H2,1H3
InChIKeyXBRKXWZQOOWBJV-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.53
Rot. Bonds

About 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine

4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 156555158) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID156555158
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCc1ncnc2c1CSC2
InChIInChI=1S/C7H8N2S/c1-5-6-2-10-3-7(6)9-4-8-5/h4H,2-3H2,1H3
InChIKeyXBRKXWZQOOWBJV-UHFFFAOYSA-N
XLogP1.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 156555158) is 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine is Cc1ncnc2c1CSC2.
What is the InChIKey of 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is XBRKXWZQOOWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-6-2-10-3-7(6)9-4-8-5/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 152.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 156555158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).