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

C14H12F3N3O4 — CID 121025333

IUPAC3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCc2ccccc2OC(F)(F)F)c1=O
InChIInChI=1S/C14H12F3N3O4/c1-20-12(22)9(7-19-13(20)23)11(21)18-6-8-4-2-3-5-10(8)24-14(15,16)17/h2-5,7H,6H2,1H3,(H,18,21)(H,19,23)
InChIKeyCVFGZYMLIOEWDE-UHFFFAOYSA-N
MW343.26 g/mol
LogP0.90
Rot. Bonds4

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

3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 121025333) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID121025333
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC Name3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCc2ccccc2OC(F)(F)F)c1=O
InChIInChI=1S/C14H12F3N3O4/c1-20-12(22)9(7-19-13(20)23)11(21)18-6-8-4-2-3-5-10(8)24-14(15,16)17/h2-5,7H,6H2,1H3,(H,18,21)(H,19,23)
InChIKeyCVFGZYMLIOEWDE-UHFFFAOYSA-N
XLogP0.90
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34555167
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
CID 34321952
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 33262160
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 70833574
2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 68787934
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide (CID 121025333) is 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCc2ccccc2OC(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is CVFGZYMLIOEWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c1-20-12(22)9(7-19-13(20)23)11(21)18-6-8-4-2-3-5-10(8)24-14(15,16)17/h2-5,7H,6H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 343.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).