2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one

C6H6F3N3O2 — CID 175471479

IUPAC2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(O)c(C(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F3N3O2/c7-2(3(8)9)1-4(13)11-6(10)12-5(1)14/h2-3H,(H4,10,11,12,13,14)
InChIKeyCSIIBUYZVBPMPA-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.33
Rot. Bonds2

About 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one

2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 175471479) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID175471479
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(O)c(C(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F3N3O2/c7-2(3(8)9)1-4(13)11-6(10)12-5(1)14/h2-3H,(H4,10,11,12,13,14)
InChIKeyCSIIBUYZVBPMPA-UHFFFAOYSA-N
XLogP0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135832719
methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135659068
5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid
CID 13268987
2-amino-5,8-dihydroxy-3H-quinazolin-4-one
CID 137175521
2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
CID 135491160
ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
CID 118369795
2-amino-6-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 161411799
2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987606
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxyacetamide
CID 66758413
2-amino-4-hydroxy-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 118313501
2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 123806414

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 175471479) is 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one is Nc1nc(O)c(C(F)C(F)F)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is CSIIBUYZVBPMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c7-2(3(8)9)1-4(13)11-6(10)12-5(1)14/h2-3H,(H4,10,11,12,13,14).
What are the key properties of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 209.13 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 175471479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).