2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine

C10H10Cl2N4S2 — CID 86141919

IUPAC2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine
SMILESCCSc1nc(Cl)nc2c(SCC)nc(Cl)nc12
InChIInChI=1S/C10H10Cl2N4S2/c1-3-17-7-5-6(14-9(11)15-7)8(18-4-2)16-10(12)13-5/h3-4H2,1-2H3
InChIKeyQWKAKGBCOHHLEK-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.95
Rot. Bonds4

About 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine

2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine (PubChem CID 86141919) has the molecular formula C10H10Cl2N4S2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine
PubChem CID86141919
Molecular FormulaC10H10Cl2N4S2
Molecular Weight321.26 g/mol
Exact Mass319.97
IUPAC Name2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine
SMILESCCSc1nc(Cl)nc2c(SCC)nc(Cl)nc12
InChIInChI=1S/C10H10Cl2N4S2/c1-3-17-7-5-6(14-9(11)15-7)8(18-4-2)16-10(12)13-5/h3-4H2,1-2H3
InChIKeyQWKAKGBCOHHLEK-UHFFFAOYSA-N
XLogP3.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine (CID 86141919) is 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine is CCSc1nc(Cl)nc2c(SCC)nc(Cl)nc12.
What is the InChIKey of 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine?
The InChIKey is QWKAKGBCOHHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4S2/c1-3-17-7-5-6(14-9(11)15-7)8(18-4-2)16-10(12)13-5/h3-4H2,1-2H3.
What are the key properties of 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine?
2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine has a molecular weight of 321.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4,8-bis(ethylsulfanyl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 86141919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).