4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one

C11H10F3N3O — CID 157092328

IUPAC4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one
SMILESNC1(c2ccccc2)NC(=O)NC=C1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-6-16-9(18)17-10(8,15)7-4-2-1-3-5-7/h1-6H,15H2,(H2,16,17,18)
InChIKeyFMBRPEPSMXRABD-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.56
Rot. Bonds1

About 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one

4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one (PubChem CID 157092328) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one
PubChem CID157092328
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one
SMILESNC1(c2ccccc2)NC(=O)NC=C1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-6-16-9(18)17-10(8,15)7-4-2-1-3-5-7/h1-6H,15H2,(H2,16,17,18)
InChIKeyFMBRPEPSMXRABD-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one
CID 154511465
(4R,5R)-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 729895
2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
CID 86257544
(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 30121383
5-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4,6-trione
CID 18408816
3-(4-amino-4-benzoyl-2-oxo-1,3-dihydropyrimidin-5-yl)prop-2-enoic acid
CID 154511468
(4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-5-ium-2-one
CID 2337435
sodium;5,5-diphenylimidazolidine-2,4-dione;hydride
CID 154804358
2,4,11,13,20,22,29,31-octazapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene-3,12,21,30-tetrone
CID 10165611
2-amino-2-phenylindene-1,3-dione
CID 12652647
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853
1,1'-biphenyl;5,5-diphenylimidazolidine-2,4-dione
CID 70574558

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one (CID 157092328) is 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one is NC1(c2ccccc2)NC(=O)NC=C1C(F)(F)F.
What is the InChIKey of 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one?
The InChIKey is FMBRPEPSMXRABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-6-16-9(18)17-10(8,15)7-4-2-1-3-5-7/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one?
4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one has a molecular weight of 257.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 157092328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).