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

C10H9Cl2N5O2S — CID 12816993

IUPAC4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Cl)nc3c(Cl)ncnc23)CC1
InChIInChI=1S/C10H9Cl2N5O2S/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-20(18,19)4-2-17/h5H,1-4H2
InChIKeyNFAJPBLXYIDHBW-UHFFFAOYSA-N
MW334.19 g/mol
LogP0.96
Rot. Bonds1

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

4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 12816993) has the molecular formula C10H9Cl2N5O2S and a molecular weight of 334.19 g/mol. Its IUPAC name is 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID12816993
Molecular FormulaC10H9Cl2N5O2S
Molecular Weight334.19 g/mol
Exact Mass332.99
IUPAC Name4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Cl)nc3c(Cl)ncnc23)CC1
InChIInChI=1S/C10H9Cl2N5O2S/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-20(18,19)4-2-17/h5H,1-4H2
InChIKeyNFAJPBLXYIDHBW-UHFFFAOYSA-N
XLogP0.96
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 12816993) is 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(Cl)nc3c(Cl)ncnc23)CC1.
What is the InChIKey of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is NFAJPBLXYIDHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O2S/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-20(18,19)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 1,1-dioxide?
4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 334.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 7 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 1,1-dioxide is sourced from PubChem (CID 12816993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).