8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C15H16N4O2S — CID 155572209

IUPAC8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1c(C#N)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C15H16N4O2S/c1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)22(2)21/h8,10H,3-6H2,1-2H3
InChIKeyMIRLWHAFZXUIIP-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.82
Rot. Bonds2

About 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155572209) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155572209
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1c(C#N)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C15H16N4O2S/c1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)22(2)21/h8,10H,3-6H2,1-2H3
InChIKeyMIRLWHAFZXUIIP-UHFFFAOYSA-N
XLogP1.82
TPSA88.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155572209) is 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is MIRLWHAFZXUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)22(2)21/h8,10H,3-6H2,1-2H3.
What are the key properties of 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 316.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155572209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).