4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine

C8H10IN2S- — CID 163906968

IUPAC4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC[I-]c1nc(C)c2c(n1)CSC2
InChIInChI=1S/C8H10IN2S/c1-5-6-3-12-4-7(6)11-8(9-2)10-5/h3-4H2,1-2H3/q-1
InChIKeyPOBLGDUUAXCFRD-UHFFFAOYSA-N
MW293.15 g/mol
LogP-1.58
Rot. Bonds1

About 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine

4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 163906968) has the molecular formula C8H10IN2S- and a molecular weight of 293.15 g/mol. Its IUPAC name is 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID163906968
Molecular FormulaC8H10IN2S-
Molecular Weight293.15 g/mol
Exact Mass292.96
IUPAC Name4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC[I-]c1nc(C)c2c(n1)CSC2
InChIInChI=1S/C8H10IN2S/c1-5-6-3-12-4-7(6)11-8(9-2)10-5/h3-4H2,1-2H3/q-1
InChIKeyPOBLGDUUAXCFRD-UHFFFAOYSA-N
XLogP-1.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 163906968) is 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine is C[I-]c1nc(C)c2c(n1)CSC2.
What is the InChIKey of 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is POBLGDUUAXCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN2S/c1-5-6-3-12-4-7(6)11-8(9-2)10-5/h3-4H2,1-2H3/q-1.
What are the key properties of 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 293.15 g/mol, XLogP of -1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methyliodanuidyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 163906968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).