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

C11H13FN2 — CID 129104377

IUPAC2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C11H13FN2/c1-8-4-2-5-9(12)10(8)11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyAQGJOJOHAZMPCI-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.87
Rot. Bonds1

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

2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 129104377) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID129104377
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C11H13FN2/c1-8-4-2-5-9(12)10(8)11-13-6-3-7-14-11/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyAQGJOJOHAZMPCI-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

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Related Compounds

2-Phenylimidazoline
CID 13639
2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 231469
2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
1H-Imidazole, 4,5-dihydro-2-(2-methylphenyl)-
CID 10057802
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
CID 10374995
2-(3,4-dihydronaphthalen-2-yl)-4,5-dihydro-1H-imidazole
CID 14456173
2-(4-ethylphenyl)-4,5-dihydro-1H-imidazole
CID 17774023
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
2-(3-Ethylphenyl)-4,5-dihydro-1H-imidazole
CID 44269107
2-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269128

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine (CID 129104377) is 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine is Cc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of 2-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is AQGJOJOHAZMPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-4-2-5-9(12)10(8)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-methylphenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-fluoro-6-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-(2-fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 129104377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).