4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide

C10H9Cl2N5OS — CID 12816992

IUPAC4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc(Cl)nc3c(Cl)ncnc23)CC1
InChIInChI=1S/C10H9Cl2N5OS/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-19(18)4-2-17/h5H,1-4H2
InChIKeyBDSJKAHYJFOELO-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.30
Rot. Bonds1

About 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide

4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 12816992) has the molecular formula C10H9Cl2N5OS and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID12816992
Molecular FormulaC10H9Cl2N5OS
Molecular Weight318.19 g/mol
Exact Mass316.99
IUPAC Name4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc(Cl)nc3c(Cl)ncnc23)CC1
InChIInChI=1S/C10H9Cl2N5OS/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-19(18)4-2-17/h5H,1-4H2
InChIKeyBDSJKAHYJFOELO-UHFFFAOYSA-N
XLogP1.30
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 12816992) is 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide is O=S1CCN(c2nc(Cl)nc3c(Cl)ncnc23)CC1.
What is the InChIKey of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is BDSJKAHYJFOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5OS/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-19(18)4-2-17/h5H,1-4H2.
What are the key properties of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 318.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12816992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).