2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide

C19H15F3N4O4 — CID 121026593

IUPAC2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1c[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C19H15F3N4O4/c20-19(21,22)30-14-6-4-12(5-7-14)9-24-16(27)15-10-25-18(29)26(17(15)28)11-13-3-1-2-8-23-13/h1-8,10H,9,11H2,(H,24,27)(H,25,29)
InChIKeyCOTMGYUXIOAIEV-UHFFFAOYSA-N
MW420.35 g/mol
LogP1.81
Rot. Bonds6

About 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide

2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 121026593) has the molecular formula C19H15F3N4O4 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID121026593
Molecular FormulaC19H15F3N4O4
Molecular Weight420.35 g/mol
Exact Mass420.10
IUPAC Name2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1c[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C19H15F3N4O4/c20-19(21,22)30-14-6-4-12(5-7-14)9-24-16(27)15-10-25-18(29)26(17(15)28)11-13-3-1-2-8-23-13/h1-8,10H,9,11H2,(H,24,27)(H,25,29)
InChIKeyCOTMGYUXIOAIEV-UHFFFAOYSA-N
XLogP1.81
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dioxo-3-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121026312
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 121026519
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
CID 121026572
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026444
2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026559
2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026533
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026385
methyl 2-[[2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 121026409
N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026401
N-(2-methoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026398
N-(3-acetamidophenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026413
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026488

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide (CID 121026593) is 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1c[nH]c(=O)n(Cc2ccccn2)c1=O.
What is the InChIKey of 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is COTMGYUXIOAIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4/c20-19(21,22)30-14-6-4-12(5-7-14)9-24-16(27)15-10-25-18(29)26(17(15)28)11-13-3-1-2-8-23-13/h1-8,10H,9,11H2,(H,24,27)(H,25,29).
What are the key properties of 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).