2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine

C14H19FN2O — CID 82244851

IUPAC2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)(C)Oc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C14H19FN2O/c1-14(2,3)18-11-7-4-6-10(15)12(11)13-16-8-5-9-17-13/h4,6-7H,5,8-9H2,1-3H3,(H,16,17)
InChIKeyRBAIRMXAVRBUKE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.74
Rot. Bonds2

About 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82244851) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82244851
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)(C)Oc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C14H19FN2O/c1-14(2,3)18-11-7-4-6-10(15)12(11)13-16-8-5-9-17-13/h4,6-7H,5,8-9H2,1-3H3,(H,16,17)
InChIKeyRBAIRMXAVRBUKE-UHFFFAOYSA-N
XLogP2.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine 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

2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240421
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82250230
2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240269
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 82248809
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 126982364
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82244851) is 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine is CC(C)(C)Oc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RBAIRMXAVRBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,3)18-11-7-4-6-10(15)12(11)13-16-8-5-9-17-13/h4,6-7H,5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 250.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82244851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).