N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine

C21H18FN5 — CID 5329440

IUPACN-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H18FN5/c1-14-10-15(2)12-18(11-14)25-21-24-7-6-19(26-21)27-9-8-23-20(27)16-4-3-5-17(22)13-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyFSSRJBLZRYMFLQ-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.83
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine (PubChem CID 5329440) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine
PubChem CID5329440
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC NameN-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H18FN5/c1-14-10-15(2)12-18(11-14)25-21-24-7-6-19(26-21)27-9-8-23-20(27)16-4-3-5-17(22)13-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyFSSRJBLZRYMFLQ-UHFFFAOYSA-N
XLogP4.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
CID 5329427
4-[2-(3-fluorophenyl)imidazol-1-yl]pyridine
CID 57036251
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-(3-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898966
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
(2S)-1-[[4-[2-(3-aminophenyl)imidazol-1-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[2-(3-nitrophenyl)imidazol-1-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 67109643
2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine
CID 22288415
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 61176606
4-[2-(3-methylanilino)pyrimidin-4-yl]-3-phenylpiperazin-2-one
CID 10237095
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine (CID 5329440) is N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccc(F)c3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine?
The InChIKey is FSSRJBLZRYMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c1-14-10-15(2)12-18(11-14)25-21-24-7-6-19(26-21)27-9-8-23-20(27)16-4-3-5-17(22)13-16/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine has a molecular weight of 359.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[2-(3-fluorophenyl)imidazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 5329440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).