7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine

C6H8N6S — CID 3049965

IUPAC7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine
SMILESNC1=Nc2c(N)nc(N)nc2SC1
InChIInChI=1S/C6H8N6S/c7-2-1-13-5-3(10-2)4(8)11-6(9)12-5/h1H2,(H2,7,10)(H4,8,9,11,12)
InChIKeyBRRSDGWGJXNOPY-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.26
Rot. Bonds

About 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine

7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine (PubChem CID 3049965) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine.

Molecular Properties

Compound Name7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine
PubChem CID3049965
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine
SMILESNC1=Nc2c(N)nc(N)nc2SC1
InChIInChI=1S/C6H8N6S/c7-2-1-13-5-3(10-2)4(8)11-6(9)12-5/h1H2,(H2,7,10)(H4,8,9,11,12)
InChIKeyBRRSDGWGJXNOPY-UHFFFAOYSA-N
XLogP-0.26
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,6-diamino-4-methyl-
CID 216613
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-hydrazino-4-methylthio-
CID 3043318
4H-Pyrimido(4,5-b)(1,4)thiazine-4,6(7H)-dione, 1,5-dihydro-, dihydrazone
CID 3043319
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,5,6-triamine
CID 141513058

Frequently Asked Questions

What is the IUPAC name of 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine?
The IUPAC name of 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine (CID 3049965) is 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine.
What is the SMILES notation for 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine?
The canonical SMILES for 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine is NC1=Nc2c(N)nc(N)nc2SC1.
What is the InChIKey of 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine?
The InChIKey is BRRSDGWGJXNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c7-2-1-13-5-3(10-2)4(8)11-6(9)12-5/h1H2,(H2,7,10)(H4,8,9,11,12).
What are the key properties of 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine?
7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine has a molecular weight of 196.24 g/mol, XLogP of -0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine is sourced from PubChem (CID 3049965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).