2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C18H23FN4O — CID 137384075

IUPAC2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C2=C(F)C(C)CC(C)C2)cc2c(C)nc(N)nc21
InChIInChI=1S/C18H23FN4O/c1-5-23-16-12(11(4)21-18(20)22-16)8-14(17(23)24)13-7-9(2)6-10(3)15(13)19/h8-10H,5-7H2,1-4H3,(H2,20,21,22)
InChIKeyCVUQZLIPVAMWBB-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 137384075) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID137384075
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C2=C(F)C(C)CC(C)C2)cc2c(C)nc(N)nc21
InChIInChI=1S/C18H23FN4O/c1-5-23-16-12(11(4)21-18(20)22-16)8-14(17(23)24)13-7-9(2)6-10(3)15(13)19/h8-10H,5-7H2,1-4H3,(H2,20,21,22)
InChIKeyCVUQZLIPVAMWBB-UHFFFAOYSA-N
XLogP3.45
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 137384075) is 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(C2=C(F)C(C)CC(C)C2)cc2c(C)nc(N)nc21.
What is the InChIKey of 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CVUQZLIPVAMWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-5-23-16-12(11(4)21-18(20)22-16)8-14(17(23)24)13-7-9(2)6-10(3)15(13)19/h8-10H,5-7H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 330.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137384075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).