(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

C12H13F3N2 — CID 134967152

IUPAC(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESC[C@H]1CCN=C(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C12H13F3N2/c1-8-6-7-16-11(17-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyVMKFSKLKHSGGMZ-QMMMGPOBSA-N
MW242.24 g/mol
LogP2.83
Rot. Bonds1

About (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 134967152) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID134967152
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESC[C@H]1CCN=C(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C12H13F3N2/c1-8-6-7-16-11(17-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyVMKFSKLKHSGGMZ-QMMMGPOBSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.83
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
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
CID 10374995
2-[4-(Trifluoromethyl)phenyl]-1-imidazoline
CID 11241345
2-(4-ethylphenyl)-4,5-dihydro-1H-imidazole
CID 17774023
5-Methyl-2-(m-tolyl)-4,5-dihydro-1H-imidazole
CID 19763483
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
2-(4-propylphenyl)-4,5-dihydro-1H-imidazole
CID 44269036
5-Methyl-2-(p-tolyl)-4,5-dihydro-1H-imidazole
CID 44269044
2-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269128

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 134967152) is (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is C[C@H]1CCN=C(c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is VMKFSKLKHSGGMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-8-6-7-16-11(17-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 242.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 134967152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).