6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C16H15ClFN3 — CID 178188401

IUPAC6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2cccc(F)c2)CC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H15ClFN3/c17-12-6-4-10(5-7-12)14-9-15(21-16(19)20-14)11-2-1-3-13(18)8-11/h1-8,14-15H,9H2,(H3,19,20,21)
InChIKeyQSHLMSMFMBOJNN-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.57
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178188401) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178188401
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2cccc(F)c2)CC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H15ClFN3/c17-12-6-4-10(5-7-12)14-9-15(21-16(19)20-14)11-2-1-3-13(18)8-11/h1-8,14-15H,9H2,(H3,19,20,21)
InChIKeyQSHLMSMFMBOJNN-UHFFFAOYSA-N
XLogP3.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-4,5-bis(2-chlorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
CID 136018716
(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
(4R,5S)-2-[2-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388827
(4R,5S)-2-[(4-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389030
5-[Bis-(4-chloro-phenyl)-methylene]-1,4,5,6-tetrahydro-pyrimidine
CID 13813680
6-(3-Chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 17060772
6-[2-(3,4-dichlorophenyl)ethylimino]-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;hydrochloride
CID 136000534
2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine
CID 6624554
[[(4-Chlorophenyl)methylamino]-[cyclohexyl(propan-2-yl)amino]methylidene]-dimethylazanium
CID 24778068
5-[(4-Chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 56665414
6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 4738278
1-[(4-Chlorophenyl)methyl]-3-cyclopropyl-2-methylguanidine
CID 96014227

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178188401) is 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NC(c2cccc(F)c2)CC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is QSHLMSMFMBOJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-12-6-4-10(5-7-12)14-9-15(21-16(19)20-14)11-2-1-3-13(18)8-11/h1-8,14-15H,9H2,(H3,19,20,21).
What are the key properties of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 303.77 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(3-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178188401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).