1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione

C26H23F3N4O4 — CID 154709853

IUPAC1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2cc(Nc3ccc(C(F)(F)F)cn3)c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C26H23F3N4O4/c1-36-20-8-3-17(4-9-20)14-32-16-22(31-23-12-7-19(13-30-23)26(27,28)29)24(34)33(25(32)35)15-18-5-10-21(37-2)11-6-18/h3-13,16H,14-15H2,1-2H3,(H,30,31)
InChIKeyRFDJXJZONREXRM-UHFFFAOYSA-N
MW512.49 g/mol
LogP4.28
Rot. Bonds8

About 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione

1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione (PubChem CID 154709853) has the molecular formula C26H23F3N4O4 and a molecular weight of 512.49 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione
PubChem CID154709853
Molecular FormulaC26H23F3N4O4
Molecular Weight512.49 g/mol
Exact Mass512.17
IUPAC Name1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2cc(Nc3ccc(C(F)(F)F)cn3)c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C26H23F3N4O4/c1-36-20-8-3-17(4-9-20)14-32-16-22(31-23-12-7-19(13-30-23)26(27,28)29)24(34)33(25(32)35)15-18-5-10-21(37-2)11-6-18/h3-13,16H,14-15H2,1-2H3,(H,30,31)
InChIKeyRFDJXJZONREXRM-UHFFFAOYSA-N
XLogP4.28
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 154709738
3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569438
1,3-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 143044407
3-[(4-methoxyphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578898
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 46061478
N-ethyl-2-(4-methoxyphenyl)-N-methyl-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 42836023
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850
2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035403
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933237
2-(3-chloro-2-methylanilino)-5-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 134291696
3-(4-fluorophenyl)-1,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 46061059

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione (CID 154709853) is 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione is COc1ccc(Cn2cc(Nc3ccc(C(F)(F)F)cn3)c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione?
The InChIKey is RFDJXJZONREXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O4/c1-36-20-8-3-17(4-9-20)14-32-16-22(31-23-12-7-19(13-30-23)26(27,28)29)24(34)33(25(32)35)15-18-5-10-21(37-2)11-6-18/h3-13,16H,14-15H2,1-2H3,(H,30,31).
What are the key properties of 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione?
1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione has a molecular weight of 512.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 154709853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).