5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione

C10H10FN3O2 — CID 122543623

IUPAC5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCC(C)n1cc2c(F)cc(=O)[nH]c2nc1=O
InChIInChI=1S/C10H10FN3O2/c1-5(2)14-4-6-7(11)3-8(15)12-9(6)13-10(14)16/h3-5H,1-2H3,(H,12,13,15,16)
InChIKeyVHWRQDGGCUFYMS-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.80
Rot. Bonds1

About 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione

5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione (PubChem CID 122543623) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
PubChem CID122543623
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCC(C)n1cc2c(F)cc(=O)[nH]c2nc1=O
InChIInChI=1S/C10H10FN3O2/c1-5(2)14-4-6-7(11)3-8(15)12-9(6)13-10(14)16/h3-5H,1-2H3,(H,12,13,15,16)
InChIKeyVHWRQDGGCUFYMS-UHFFFAOYSA-N
XLogP0.80
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione 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 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The IUPAC name of 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione (CID 122543623) is 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The canonical SMILES for 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione is CC(C)n1cc2c(F)cc(=O)[nH]c2nc1=O.
What is the InChIKey of 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The InChIKey is VHWRQDGGCUFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-5(2)14-4-6-7(11)3-8(15)12-9(6)13-10(14)16/h3-5H,1-2H3,(H,12,13,15,16).
What are the key properties of 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione has a molecular weight of 223.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione is sourced from PubChem (CID 122543623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).