4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide

C17H17F3N6O3 — CID 57204424

IUPAC4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCC1(C)CN(c2nc(N)c(C(N)=O)c(-c3cccc(OC(F)(F)F)c3)n2)C(=O)N1
InChIInChI=1S/C17H17F3N6O3/c1-16(2)7-26(15(28)25-16)14-23-11(10(13(22)27)12(21)24-14)8-4-3-5-9(6-8)29-17(18,19)20/h3-6H,7H2,1-2H3,(H2,22,27)(H,25,28)(H2,21,23,24)
InChIKeyXLANVBVMCHCKNI-UHFFFAOYSA-N
MW410.36 g/mol
LogP2.03
Rot. Bonds4

About 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide

4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 57204424) has the molecular formula C17H17F3N6O3 and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID57204424
Molecular FormulaC17H17F3N6O3
Molecular Weight410.36 g/mol
Exact Mass410.13
IUPAC Name4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCC1(C)CN(c2nc(N)c(C(N)=O)c(-c3cccc(OC(F)(F)F)c3)n2)C(=O)N1
InChIInChI=1S/C17H17F3N6O3/c1-16(2)7-26(15(28)25-16)14-23-11(10(13(22)27)12(21)24-14)8-4-3-5-9(6-8)29-17(18,19)20/h3-6H,7H2,1-2H3,(H2,22,27)(H,25,28)(H2,21,23,24)
InChIKeyXLANVBVMCHCKNI-UHFFFAOYSA-N
XLogP2.03
TPSA136.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide (CID 57204424) is 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide is CC1(C)CN(c2nc(N)c(C(N)=O)c(-c3cccc(OC(F)(F)F)c3)n2)C(=O)N1.
What is the InChIKey of 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is XLANVBVMCHCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O3/c1-16(2)7-26(15(28)25-16)14-23-11(10(13(22)27)12(21)24-14)8-4-3-5-9(6-8)29-17(18,19)20/h3-6H,7H2,1-2H3,(H2,22,27)(H,25,28)(H2,21,23,24).
What are the key properties of 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 57204424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).