6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine

C9H12N4S — CID 130017605

IUPAC6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine
SMILESCC1=Nc2c(N)ncnc2SC1(C)C
InChIInChI=1S/C9H12N4S/c1-5-9(2,3)14-8-6(13-5)7(10)11-4-12-8/h4H,1-3H3,(H2,10,11,12)
InChIKeyVFBMNJIJPCDAIX-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.04
Rot. Bonds

About 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine

6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine (PubChem CID 130017605) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine.

Molecular Properties

Compound Name6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine
PubChem CID130017605
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine
SMILESCC1=Nc2c(N)ncnc2SC1(C)C
InChIInChI=1S/C9H12N4S/c1-5-9(2,3)14-8-6(13-5)7(10)11-4-12-8/h4H,1-3H3,(H2,10,11,12)
InChIKeyVFBMNJIJPCDAIX-UHFFFAOYSA-N
XLogP2.04
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine 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 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine?
The IUPAC name of 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine (CID 130017605) is 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine.
What is the SMILES notation for 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine?
The canonical SMILES for 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine is CC1=Nc2c(N)ncnc2SC1(C)C.
What is the InChIKey of 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine?
The InChIKey is VFBMNJIJPCDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-5-9(2,3)14-8-6(13-5)7(10)11-4-12-8/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine?
6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine has a molecular weight of 208.29 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethylpyrimido[4,5-b][1,4]thiazin-4-amine is sourced from PubChem (CID 130017605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).