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

C11H13FN2 — CID 126982364

IUPAC2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCc1ccc(F)cc1C1=NCCCN1
InChIInChI=1S/C11H13FN2/c1-8-3-4-9(12)7-10(8)11-13-5-2-6-14-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyUHYBWSSYFWLNAN-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.87
Rot. Bonds1

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

2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 126982364) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID126982364
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCc1ccc(F)cc1C1=NCCCN1
InChIInChI=1S/C11H13FN2/c1-8-3-4-9(12)7-10(8)11-13-5-2-6-14-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyUHYBWSSYFWLNAN-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-2-methylphenyl)-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-[5-(3-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-imidazole
CID 54486156
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 137209925
2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 70301959
2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 20628409
2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240421
5-(5-fluoro-2-methylphenyl)-1H-pyrazole
CID 89211129
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845
N-[(5-bromo-2-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 20628576
2-[(5-fluoro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951723
2-[2-[(4-methylnaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744884
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine (CID 126982364) is 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine is Cc1ccc(F)cc1C1=NCCCN1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is UHYBWSSYFWLNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-3-4-9(12)7-10(8)11-13-5-2-6-14-11/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 192.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 126982364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).