5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide

C8H11N3OS — CID 163551632

IUPAC5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
SMILES[H]N=S1(=O)CCCc2nc(C)ncc21
InChIInChI=1S/C8H11N3OS/c1-6-10-5-8-7(11-6)3-2-4-13(8,9)12/h5,9H,2-4H2,1H3
InChIKeyFJNXDMPYJVDLJO-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.14
Rot. Bonds

About 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide

5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide (PubChem CID 163551632) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide.

Molecular Properties

Compound Name5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
PubChem CID163551632
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
SMILES[H]N=S1(=O)CCCc2nc(C)ncc21
InChIInChI=1S/C8H11N3OS/c1-6-10-5-8-7(11-6)3-2-4-13(8,9)12/h5,9H,2-4H2,1H3
InChIKeyFJNXDMPYJVDLJO-UHFFFAOYSA-N
XLogP1.14
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide?
The IUPAC name of 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide (CID 163551632) is 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide.
What is the SMILES notation for 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide?
The canonical SMILES for 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide is [H]N=S1(=O)CCCc2nc(C)ncc21.
What is the InChIKey of 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide?
The InChIKey is FJNXDMPYJVDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-10-5-8-7(11-6)3-2-4-13(8,9)12/h5,9H,2-4H2,1H3.
What are the key properties of 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide?
5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide has a molecular weight of 197.26 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide is sourced from PubChem (CID 163551632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).