1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C16H12F3N3O2 — CID 2353924

IUPAC1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C16H12F3N3O2/c1-9-7-11(16(17,18)19)12-13(20-9)22(15(24)21-14(12)23)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,23,24)
InChIKeyCYDHGPBQVOVPNG-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.46
Rot. Bonds2

About 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2353924) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2353924
Molecular FormulaC16H12F3N3O2
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC Name1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C16H12F3N3O2/c1-9-7-11(16(17,18)19)12-13(20-9)22(15(24)21-14(12)23)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,23,24)
InChIKeyCYDHGPBQVOVPNG-UHFFFAOYSA-N
XLogP2.46
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2353924) is 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CYDHGPBQVOVPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-9-7-11(16(17,18)19)12-13(20-9)22(15(24)21-14(12)23)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,23,24).
What are the key properties of 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 335.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2353924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).