4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine

C8H11N5S — CID 3043316

IUPAC4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESCN(C)c1ncnc2c1N=C(N)CS2
InChIInChI=1S/C8H11N5S/c1-13(2)7-6-8(11-4-10-7)14-3-5(9)12-6/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyVDGJAEOXYNDLEW-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.64
Rot. Bonds1

About 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine

4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine (PubChem CID 3043316) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
PubChem CID3043316
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESCN(C)c1ncnc2c1N=C(N)CS2
InChIInChI=1S/C8H11N5S/c1-13(2)7-6-8(11-4-10-7)14-3-5(9)12-6/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyVDGJAEOXYNDLEW-UHFFFAOYSA-N
XLogP0.64
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
7H-Pyrimido(4,5-b)(1,4)thiazin-4-amine, N,N-dimethyl-6-(1-piperidinylmethyl)-
CID 3067244
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
7H-Pyrimido[4,5-b][1,4]thiazin-6-amine
CID 85887989
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine (CID 3043316) is 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine is CN(C)c1ncnc2c1N=C(N)CS2.
What is the InChIKey of 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The InChIKey is VDGJAEOXYNDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-13(2)7-6-8(11-4-10-7)14-3-5(9)12-6/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine has a molecular weight of 209.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine is sourced from PubChem (CID 3043316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).