7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine

C8H11N5S — CID 130017564

IUPAC7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESCC1(C)Sc2ncnc(N)c2N=C1N
InChIInChI=1S/C8H11N5S/c1-8(2)7(10)13-4-5(9)11-3-12-6(4)14-8/h3H,1-2H3,(H2,10,13)(H2,9,11,12)
InChIKeyQYVGWKPDNKRBJK-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.93
Rot. Bonds

About 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine

7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine (PubChem CID 130017564) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine.

Molecular Properties

Compound Name7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine
PubChem CID130017564
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESCC1(C)Sc2ncnc(N)c2N=C1N
InChIInChI=1S/C8H11N5S/c1-8(2)7(10)13-4-5(9)11-3-12-6(4)14-8/h3H,1-2H3,(H2,10,13)(H2,9,11,12)
InChIKeyQYVGWKPDNKRBJK-UHFFFAOYSA-N
XLogP0.93
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The IUPAC name of 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine (CID 130017564) is 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine.
What is the SMILES notation for 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The canonical SMILES for 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine is CC1(C)Sc2ncnc(N)c2N=C1N.
What is the InChIKey of 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The InChIKey is QYVGWKPDNKRBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-8(2)7(10)13-4-5(9)11-3-12-6(4)14-8/h3H,1-2H3,(H2,10,13)(H2,9,11,12).
What are the key properties of 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine?
7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine has a molecular weight of 209.28 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine is sourced from PubChem (CID 130017564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).