2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione

C20H21N3O2 — CID 118560833

IUPAC2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione
SMILESCc1c(C)n(C)c2nc(C3CCC3)n(-c3ccccc3)c(=O)c2c1=O
InChIInChI=1S/C20H21N3O2/c1-12-13(2)22(3)19-16(17(12)24)20(25)23(15-10-5-4-6-11-15)18(21-19)14-8-7-9-14/h4-6,10-11,14H,7-9H2,1-3H3
InChIKeyNUIZLSAIMIRLGH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds2

About 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione

2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione (PubChem CID 118560833) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione
PubChem CID118560833
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione
SMILESCc1c(C)n(C)c2nc(C3CCC3)n(-c3ccccc3)c(=O)c2c1=O
InChIInChI=1S/C20H21N3O2/c1-12-13(2)22(3)19-16(17(12)24)20(25)23(15-10-5-4-6-11-15)18(21-19)14-8-7-9-14/h4-6,10-11,14H,7-9H2,1-3H3
InChIKeyNUIZLSAIMIRLGH-UHFFFAOYSA-N
XLogP2.97
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione (CID 118560833) is 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione is Cc1c(C)n(C)c2nc(C3CCC3)n(-c3ccccc3)c(=O)c2c1=O.
What is the InChIKey of 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione?
The InChIKey is NUIZLSAIMIRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-13(2)22(3)19-16(17(12)24)20(25)23(15-10-5-4-6-11-15)18(21-19)14-8-7-9-14/h4-6,10-11,14H,7-9H2,1-3H3.
What are the key properties of 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione?
2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione has a molecular weight of 335.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 118560833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).