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

C9H14FN3O2 — CID 80550749

IUPAC2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)C(N)c1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C9H14FN3O2/c1-9(2,3)5(11)6-12-7(14)4(10)8(15)13-6/h5H,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyUTVZCKMOYOZDIP-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.66
Rot. Bonds1

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

2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550749) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550749
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)C(N)c1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C9H14FN3O2/c1-9(2,3)5(11)6-12-7(14)4(10)8(15)13-6/h5H,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyUTVZCKMOYOZDIP-UHFFFAOYSA-N
XLogP0.66
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550749) is 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is CC(C)(C)C(N)c1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UTVZCKMOYOZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-9(2,3)5(11)6-12-7(14)4(10)8(15)13-6/h5H,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 215.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).