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

C14H11F3N4O3 — CID 33365682

IUPAC1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)on1
InChIInChI=1S/C14H11F3N4O3/c1-7-5-8(24-19-7)6-21-12(22)9-3-4-10(14(15,16)17)18-11(9)20(2)13(21)23/h3-5H,6H2,1-2H3
InChIKeyRSBRLXNCILIRGZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.46
Rot. Bonds2

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

1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 33365682) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID33365682
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)on1
InChIInChI=1S/C14H11F3N4O3/c1-7-5-8(24-19-7)6-21-12(22)9-3-4-10(14(15,16)17)18-11(9)20(2)13(21)23/h3-5H,6H2,1-2H3
InChIKeyRSBRLXNCILIRGZ-UHFFFAOYSA-N
XLogP1.46
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 33365682) is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)on1.
What is the InChIKey of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RSBRLXNCILIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c1-7-5-8(24-19-7)6-21-12(22)9-3-4-10(14(15,16)17)18-11(9)20(2)13(21)23/h3-5H,6H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 340.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 33365682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).