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

C22H24FN5 — CID 112898456

IUPACN-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(N3CCN(c4ccccc4F)CC3)n2)c1C
InChIInChI=1S/C22H24FN5/c1-16-6-5-8-19(17(16)2)25-22-24-11-10-21(26-22)28-14-12-27(13-15-28)20-9-4-3-7-18(20)23/h3-11H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyYBEMNEYKKQWAKK-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.30
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112898456) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112898456
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(N3CCN(c4ccccc4F)CC3)n2)c1C
InChIInChI=1S/C22H24FN5/c1-16-6-5-8-19(17(16)2)25-22-24-11-10-21(26-22)28-14-12-27(13-15-28)20-9-4-3-7-18(20)23/h3-11H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyYBEMNEYKKQWAKK-UHFFFAOYSA-N
XLogP4.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898325
N-(2,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898451
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
4-[2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888570
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887167
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898327
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886226
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112898456) is N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cccc(Nc2nccc(N3CCN(c4ccccc4F)CC3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is YBEMNEYKKQWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-16-6-5-8-19(17(16)2)25-22-24-11-10-21(26-22)28-14-12-27(13-15-28)20-9-4-3-7-18(20)23/h3-11H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112898456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).