2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine

C11H13FN2O — CID 82241523

IUPAC2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C11H13FN2O/c1-15-9-5-2-4-8(12)10(9)11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyRPGXBBUHXYSTRM-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.57
Rot. Bonds2

About 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine

2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 82241523) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID82241523
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C11H13FN2O/c1-15-9-5-2-4-8(12)10(9)11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyRPGXBBUHXYSTRM-UHFFFAOYSA-N
XLogP1.57
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-6-methoxyphenyl)-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-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
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-[(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
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
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-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
CID 82249804

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine (CID 82241523) is 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine is COc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RPGXBBUHXYSTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-15-9-5-2-4-8(12)10(9)11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H,13,14).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 208.24 g/mol, XLogP of 1.57, 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-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82241523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).