10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine

C10H9N5S — CID 4678281

IUPAC10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine
SMILESNc1nc(N)c2c(n1)Nc1ccccc1S2
InChIInChI=1S/C10H9N5S/c11-8-7-9(15-10(12)14-8)13-5-3-1-2-4-6(5)16-7/h1-4H,(H5,11,12,13,14,15)
InChIKeySEFPXLJFLQDGEM-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.85
Rot. Bonds

About 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine

10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine (PubChem CID 4678281) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine.

Molecular Properties

Compound Name10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine
PubChem CID4678281
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine
SMILESNc1nc(N)c2c(n1)Nc1ccccc1S2
InChIInChI=1S/C10H9N5S/c11-8-7-9(15-10(12)14-8)13-5-3-1-2-4-6(5)16-7/h1-4H,(H5,11,12,13,14,15)
InChIKeySEFPXLJFLQDGEM-UHFFFAOYSA-N
XLogP1.85
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine?
The IUPAC name of 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine (CID 4678281) is 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine.
What is the SMILES notation for 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine?
The canonical SMILES for 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine is Nc1nc(N)c2c(n1)Nc1ccccc1S2.
What is the InChIKey of 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine?
The InChIKey is SEFPXLJFLQDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-8-7-9(15-10(12)14-8)13-5-3-1-2-4-6(5)16-7/h1-4H,(H5,11,12,13,14,15).
What are the key properties of 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine?
10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine has a molecular weight of 231.28 g/mol, XLogP of 1.85, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-pyrimido[5,4-b][1,4]benzothiazine-2,4-diamine is sourced from PubChem (CID 4678281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).