4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine

C9H8N4S — CID 129147092

IUPAC4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine
SMILESC=Cc1ncnc2cnc(SC)nc12
InChIInChI=1S/C9H8N4S/c1-3-6-8-7(12-5-11-6)4-10-9(13-8)14-2/h3-5H,1H2,2H3
InChIKeyBLQUDAFJLPJRER-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.78
Rot. Bonds2

About 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine

4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine (PubChem CID 129147092) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine
PubChem CID129147092
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine
SMILESC=Cc1ncnc2cnc(SC)nc12
InChIInChI=1S/C9H8N4S/c1-3-6-8-7(12-5-11-6)4-10-9(13-8)14-2/h3-5H,1H2,2H3
InChIKeyBLQUDAFJLPJRER-UHFFFAOYSA-N
XLogP1.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine?
The IUPAC name of 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine (CID 129147092) is 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine?
The canonical SMILES for 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine is C=Cc1ncnc2cnc(SC)nc12.
What is the InChIKey of 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine?
The InChIKey is BLQUDAFJLPJRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-3-6-8-7(12-5-11-6)4-10-9(13-8)14-2/h3-5H,1H2,2H3.
What are the key properties of 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine?
4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine has a molecular weight of 204.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 129147092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).