8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C12H12N4O — CID 58451201

IUPAC8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCn1c(=O)c(C#N)cc2c(C)nc(C)nc21
InChIInChI=1S/C12H12N4O/c1-4-16-11-10(5-9(6-13)12(16)17)7(2)14-8(3)15-11/h5H,4H2,1-3H3
InChIKeyRJEUHSCADLAXMP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.30
Rot. Bonds1

About 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 58451201) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID58451201
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCn1c(=O)c(C#N)cc2c(C)nc(C)nc21
InChIInChI=1S/C12H12N4O/c1-4-16-11-10(5-9(6-13)12(16)17)7(2)14-8(3)15-11/h5H,4H2,1-3H3
InChIKeyRJEUHSCADLAXMP-UHFFFAOYSA-N
XLogP1.30
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 58451201) is 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CCn1c(=O)c(C#N)cc2c(C)nc(C)nc21.
What is the InChIKey of 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is RJEUHSCADLAXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-4-16-11-10(5-9(6-13)12(16)17)7(2)14-8(3)15-11/h5H,4H2,1-3H3.
What are the key properties of 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,4-dimethyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 58451201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).