propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate

C14H14F3N3O4 — CID 33364929

IUPACpropan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCC(C)OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O
InChIInChI=1S/C14H14F3N3O4/c1-7(2)24-10(21)6-20-12(22)8-4-5-9(14(15,16)17)18-11(8)19(3)13(20)23/h4-5,7H,6H2,1-3H3
InChIKeyZXZLEHWVZILSQF-UHFFFAOYSA-N
MW345.28 g/mol
LogP1.07
Rot. Bonds3

About propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate

propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate (PubChem CID 33364929) has the molecular formula C14H14F3N3O4 and a molecular weight of 345.28 g/mol. Its IUPAC name is propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
PubChem CID33364929
Molecular FormulaC14H14F3N3O4
Molecular Weight345.28 g/mol
Exact Mass345.09
IUPAC Namepropan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCC(C)OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O
InChIInChI=1S/C14H14F3N3O4/c1-7(2)24-10(21)6-20-12(22)8-4-5-9(14(15,16)17)18-11(8)19(3)13(20)23/h4-5,7H,6H2,1-3H3
InChIKeyZXZLEHWVZILSQF-UHFFFAOYSA-N
XLogP1.07
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate (CID 33364929) is propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate is CC(C)OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O.
What is the InChIKey of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
The InChIKey is ZXZLEHWVZILSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4/c1-7(2)24-10(21)6-20-12(22)8-4-5-9(14(15,16)17)18-11(8)19(3)13(20)23/h4-5,7H,6H2,1-3H3.
What are the key properties of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate has a molecular weight of 345.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate is sourced from PubChem (CID 33364929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).