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

C6H7N5S — CID 3043314

IUPAC7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESNC1=Nc2c(N)ncnc2SC1
InChIInChI=1S/C6H7N5S/c7-3-1-12-6-4(11-3)5(8)9-2-10-6/h2H,1H2,(H2,7,11)(H2,8,9,10)
InChIKeyPKTCOLONBTYGCJ-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.15
Rot. Bonds

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

7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine (PubChem CID 3043314) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine.

Molecular Properties

Compound Name7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
PubChem CID3043314
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
SMILESNC1=Nc2c(N)ncnc2SC1
InChIInChI=1S/C6H7N5S/c7-3-1-12-6-4(11-3)5(8)9-2-10-6/h2H,1H2,(H2,7,11)(H2,8,9,10)
InChIKeyPKTCOLONBTYGCJ-UHFFFAOYSA-N
XLogP0.15
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.15
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, 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
Pyrimido[4,5-b][1,4]thiazine
CID 70491204
7H-Pyrimido[4,5-b][1,4]thiazin-6-amine
CID 85887989

Frequently Asked Questions

What is the IUPAC name of 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The IUPAC name of 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine (CID 3043314) is 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine.
What is the SMILES notation for 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The canonical SMILES for 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine is NC1=Nc2c(N)ncnc2SC1.
What is the InChIKey of 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
The InChIKey is PKTCOLONBTYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c7-3-1-12-6-4(11-3)5(8)9-2-10-6/h2H,1H2,(H2,7,11)(H2,8,9,10).
What are the key properties of 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine?
7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine has a molecular weight of 181.22 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine is sourced from PubChem (CID 3043314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).