7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

C16H12FN5O2 — CID 930675

IUPAC7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c(=O)c2c(-c3ccc(F)cc3)c(C#N)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H12FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-3-5-9(17)6-4-8/h3-6H,1-2H3,(H2,19,20)
InChIKeyOUSLRIPVTGPUBD-UHFFFAOYSA-N
MW325.30 g/mol
LogP0.89
Rot. Bonds1

About 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 930675) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID930675
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c(=O)c2c(-c3ccc(F)cc3)c(C#N)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H12FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-3-5-9(17)6-4-8/h3-6H,1-2H3,(H2,19,20)
InChIKeyOUSLRIPVTGPUBD-UHFFFAOYSA-N
XLogP0.89
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile 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 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 930675) is 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1c(=O)c2c(-c3ccc(F)cc3)c(C#N)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OUSLRIPVTGPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-3-5-9(17)6-4-8/h3-6H,1-2H3,(H2,19,20).
What are the key properties of 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 325.30 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 930675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).