5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C15H12ClN3O2 — CID 14998436

IUPAC5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3)ccnc2n(C)c1=O
InChIInChI=1S/C15H12ClN3O2/c1-18-13-12(14(20)19(2)15(18)21)11(7-8-17-13)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyFGMVWFFYSYOBIG-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.95
Rot. Bonds1

About 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 14998436) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID14998436
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3)ccnc2n(C)c1=O
InChIInChI=1S/C15H12ClN3O2/c1-18-13-12(14(20)19(2)15(18)21)11(7-8-17-13)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyFGMVWFFYSYOBIG-UHFFFAOYSA-N
XLogP1.95
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 14998436) is 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccc(Cl)cc3)ccnc2n(C)c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FGMVWFFYSYOBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-18-13-12(14(20)19(2)15(18)21)11(7-8-17-13)9-3-5-10(16)6-4-9/h3-8H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 301.73 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).