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

C14H8F3N3O2 — CID 13282380

IUPAC1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2ccncc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-2-1-3-9(6-8)20-11-4-5-18-7-10(11)12(21)19-13(20)22/h1-7H,(H,19,21,22)
InChIKeySCOSTOLGOWOSIM-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.09
Rot. Bonds1

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

1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 13282380) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID13282380
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2ccncc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-2-1-3-9(6-8)20-11-4-5-18-7-10(11)12(21)19-13(20)22/h1-7H,(H,19,21,22)
InChIKeySCOSTOLGOWOSIM-UHFFFAOYSA-N
XLogP2.09
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-4-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3264783
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 124598307
3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207571
3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261306
6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 27506108
8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 127047610
5-bromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 158849124
[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid
CID 129031933
7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
CID 154929330
6-hydroxy-5-[(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3312657
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione (CID 13282380) is 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2ccncc12.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is SCOSTOLGOWOSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)8-2-1-3-9(6-8)20-11-4-5-18-7-10(11)12(21)19-13(20)22/h1-7H,(H,19,21,22).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione?
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 307.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 13282380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).