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

C18H16F3N3O2 — CID 2451919

IUPAC1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H16F3N3O2/c1-10(2)9-24-15-14(16(25)23-17(24)26)12(18(19,20)21)8-13(22-15)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,23,25,26)
InChIKeyPMYAJVMTEVYTMS-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.43
Rot. Bonds3

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

1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2451919) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2451919
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H16F3N3O2/c1-10(2)9-24-15-14(16(25)23-17(24)26)12(18(19,20)21)8-13(22-15)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,23,25,26)
InChIKeyPMYAJVMTEVYTMS-UHFFFAOYSA-N
XLogP3.43
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2451919) is 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PMYAJVMTEVYTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-10(2)9-24-15-14(16(25)23-17(24)26)12(18(19,20)21)8-13(22-15)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,23,25,26).
What are the key properties of 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 363.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2451919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).