(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine

C11H13FN2 — CID 134861075

IUPAC(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine
SMILESC[C@H]1CCN=C(c2ccccc2F)N1
InChIInChI=1S/C11H13FN2/c1-8-6-7-13-11(14-8)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySCLAHLQRYVBHAA-QMMMGPOBSA-N
MW192.24 g/mol
LogP1.95
Rot. Bonds1

About (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine

(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 134861075) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine
PubChem CID134861075
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine
SMILESC[C@H]1CCN=C(c2ccccc2F)N1
InChIInChI=1S/C11H13FN2/c1-8-6-7-13-11(14-8)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySCLAHLQRYVBHAA-QMMMGPOBSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylimidazoline
CID 13639
2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
CID 3746427
2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 231469
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
CID 2776794
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-[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

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine (CID 134861075) is (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine is C[C@H]1CCN=C(c2ccccc2F)N1.
What is the InChIKey of (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is SCLAHLQRYVBHAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-6-7-13-11(14-8)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine?
(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 192.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 134861075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).