5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide

C15H15F3N4O5 — CID 118574902

IUPAC5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide
SMILESCC(COc1cccc(OC(F)(F)F)c1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C15H15F3N4O5/c1-7(20-13(24)11-10(19)12(23)22-14(25)21-11)6-26-8-3-2-4-9(5-8)27-15(16,17)18/h2-5,7H,6,19H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyMJVIVUKAPLPIHY-UHFFFAOYSA-N
MW388.30 g/mol
LogP0.74
Rot. Bonds6

About 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide

5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide (PubChem CID 118574902) has the molecular formula C15H15F3N4O5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide
PubChem CID118574902
Molecular FormulaC15H15F3N4O5
Molecular Weight388.30 g/mol
Exact Mass388.10
IUPAC Name5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide
SMILESCC(COc1cccc(OC(F)(F)F)c1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C15H15F3N4O5/c1-7(20-13(24)11-10(19)12(23)22-14(25)21-11)6-26-8-3-2-4-9(5-8)27-15(16,17)18/h2-5,7H,6,19H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyMJVIVUKAPLPIHY-UHFFFAOYSA-N
XLogP0.74
TPSA139.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide (CID 118574902) is 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide is CC(COc1cccc(OC(F)(F)F)c1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide?
The InChIKey is MJVIVUKAPLPIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O5/c1-7(20-13(24)11-10(19)12(23)22-14(25)21-11)6-26-8-3-2-4-9(5-8)27-15(16,17)18/h2-5,7H,6,19H2,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide?
5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dioxo-N-[1-[3-(trifluoromethoxy)phenoxy]propan-2-yl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118574902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).