4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C13H14FN3O2 — CID 114578866

IUPAC4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(Oc2c(N)cccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H14FN3O2/c1-7(2)13-16-10(18)6-11(17-13)19-12-8(14)4-3-5-9(12)15/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyCEANMCPVOXOGRV-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.41
Rot. Bonds3

About 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114578866) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114578866
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(Oc2c(N)cccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H14FN3O2/c1-7(2)13-16-10(18)6-11(17-13)19-12-8(14)4-3-5-9(12)15/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyCEANMCPVOXOGRV-UHFFFAOYSA-N
XLogP2.41
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-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

Related Compounds

4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645
4-(2-amino-4,5-dichlorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 107501039
4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585914
4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241209
4-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585964
4-(5-amino-2-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103011768
4-(4-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114574312
4-(3-amino-5-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103589203
7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104832185
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
CID 114585630

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 114578866) is 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(Oc2c(N)cccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CEANMCPVOXOGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7(2)13-16-10(18)6-11(17-13)19-12-8(14)4-3-5-9(12)15/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114578866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).