8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile

C11H11N5OS — CID 168932292

IUPAC8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCCNc1nc(C#N)cc2cnc(S(C)=O)nc12
InChIInChI=1S/C11H11N5OS/c1-3-13-10-9-7(4-8(5-12)15-10)6-14-11(16-9)18(2)17/h4,6H,3H2,1-2H3,(H,13,15)
InChIKeyADCUODGKMLRCRV-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.07
Rot. Bonds3

About 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile

8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile (PubChem CID 168932292) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile
PubChem CID168932292
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCCNc1nc(C#N)cc2cnc(S(C)=O)nc12
InChIInChI=1S/C11H11N5OS/c1-3-13-10-9-7(4-8(5-12)15-10)6-14-11(16-9)18(2)17/h4,6H,3H2,1-2H3,(H,13,15)
InChIKeyADCUODGKMLRCRV-UHFFFAOYSA-N
XLogP1.07
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile (CID 168932292) is 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile is CCNc1nc(C#N)cc2cnc(S(C)=O)nc12.
What is the InChIKey of 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile?
The InChIKey is ADCUODGKMLRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-3-13-10-9-7(4-8(5-12)15-10)6-14-11(16-9)18(2)17/h4,6H,3H2,1-2H3,(H,13,15).
What are the key properties of 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile?
8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile has a molecular weight of 261.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 168932292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).