2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C11H8F3N3O2 — CID 146507943

IUPAC2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(C(F)(F)F)ccc2O)cc(=O)[nH]1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)5-1-2-8(18)6(3-5)7-4-9(19)17-10(15)16-7/h1-4,18H,(H3,15,16,17,19)
InChIKeyDLNWRBZSLRQXBN-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.74
Rot. Bonds1

About 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 146507943) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID146507943
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(C(F)(F)F)ccc2O)cc(=O)[nH]1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)5-1-2-8(18)6(3-5)7-4-9(19)17-10(15)16-7/h1-4,18H,(H3,15,16,17,19)
InChIKeyDLNWRBZSLRQXBN-UHFFFAOYSA-N
XLogP1.74
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
CID 136903850
2-(2-fluoro-3-methylphenyl)-4-(trifluoromethyl)phenol
CID 172879488
7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 178038439
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358380
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-amino-8-(2,5-dihydroxyphenyl)-1,7-dihydropurin-6-one
CID 136903813
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
CID 169403087

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 146507943) is 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is Nc1nc(-c2cc(C(F)(F)F)ccc2O)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is DLNWRBZSLRQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)5-1-2-8(18)6(3-5)7-4-9(19)17-10(15)16-7/h1-4,18H,(H3,15,16,17,19).
What are the key properties of 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 271.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 146507943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).