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

C7H9N5S — CID 3043315

IUPAC4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESCNc1ncnc2c1N=C(N)CS2
InChIInChI=1S/C7H9N5S/c1-9-6-5-7(11-3-10-6)13-2-4(8)12-5/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeyZEHUVTPZXKAPNE-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.61
Rot. Bonds1

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

4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine (PubChem CID 3043315) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
PubChem CID3043315
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESCNc1ncnc2c1N=C(N)CS2
InChIInChI=1S/C7H9N5S/c1-9-6-5-7(11-3-10-6)13-2-4(8)12-5/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeyZEHUVTPZXKAPNE-UHFFFAOYSA-N
XLogP0.61
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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, 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-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
N-methyl-5-nitro-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 2822062
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
5H-pyrimido[4,5-b][1,4]thiazine
CID 70491199

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The IUPAC name of 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine (CID 3043315) is 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The canonical SMILES for 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine is CNc1ncnc2c1N=C(N)CS2.
What is the InChIKey of 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The InChIKey is ZEHUVTPZXKAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-9-6-5-7(11-3-10-6)13-2-4(8)12-5/h3H,2H2,1H3,(H2,8,12)(H,9,10,11).
What are the key properties of 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine has a molecular weight of 195.25 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine is sourced from PubChem (CID 3043315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).