4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde

C8H8N2O2S — CID 105449901

IUPAC4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde
SMILESCOc1nc(C=O)nc2c1CSC2
InChIInChI=1S/C8H8N2O2S/c1-12-8-5-3-13-4-6(5)9-7(2-11)10-8/h2H,3-4H2,1H3
InChIKeyIHFULNYVMINNBY-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.04
Rot. Bonds2

About 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde

4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde (PubChem CID 105449901) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde
PubChem CID105449901
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde
SMILESCOc1nc(C=O)nc2c1CSC2
InChIInChI=1S/C8H8N2O2S/c1-12-8-5-3-13-4-6(5)9-7(2-11)10-8/h2H,3-4H2,1H3
InChIKeyIHFULNYVMINNBY-UHFFFAOYSA-N
XLogP1.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde?
The IUPAC name of 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde (CID 105449901) is 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde is COc1nc(C=O)nc2c1CSC2.
What is the InChIKey of 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde?
The InChIKey is IHFULNYVMINNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-12-8-5-3-13-4-6(5)9-7(2-11)10-8/h2H,3-4H2,1H3.
What are the key properties of 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde?
4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde has a molecular weight of 196.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 105449901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).