5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one

C13H12F3N3O — CID 142150682

IUPAC5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCCn1c(-c2ccc(C(F)(F)F)cc2)ncc(N)c1=O
InChIInChI=1S/C13H12F3N3O/c1-2-19-11(18-7-10(17)12(19)20)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2,17H2,1H3
InChIKeyYGHIKJNMQXYCIO-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.53
Rot. Bonds2

About 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one

5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one (PubChem CID 142150682) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
PubChem CID142150682
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCCn1c(-c2ccc(C(F)(F)F)cc2)ncc(N)c1=O
InChIInChI=1S/C13H12F3N3O/c1-2-19-11(18-7-10(17)12(19)20)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2,17H2,1H3
InChIKeyYGHIKJNMQXYCIO-UHFFFAOYSA-N
XLogP2.53
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Fluoro-phenyl)-5-methylamino-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10002668
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10024782
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidin-4-ol
CID 259156
2-[5-Amino-2-(3,5-difluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10002900
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
Kinase inhibitor, A2
CID 71463563
2,2,2-Trifluoro-N-{6-oxo-2-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-acetamide
CID 9983109
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-(trifluoromethyl)benzamide
CID 16030259

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
The IUPAC name of 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one (CID 142150682) is 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one is CCn1c(-c2ccc(C(F)(F)F)cc2)ncc(N)c1=O.
What is the InChIKey of 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
The InChIKey is YGHIKJNMQXYCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-19-11(18-7-10(17)12(19)20)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2,17H2,1H3.
What are the key properties of 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one has a molecular weight of 283.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one is sourced from PubChem (CID 142150682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).