N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine

C23H26FN5 — CID 112922320

IUPACN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCc1ccccc1Nc1nc(C)cc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H26FN5/c1-3-18-6-4-5-7-21(18)26-23-25-17(2)16-22(27-23)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,25,26,27)
InChIKeyBEAKTVRKZCFGJY-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.56
Rot. Bonds5

About N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine

N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 112922320) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID112922320
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC NameN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCc1ccccc1Nc1nc(C)cc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H26FN5/c1-3-18-6-4-5-7-21(18)26-23-25-17(2)16-22(27-23)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,25,26,27)
InChIKeyBEAKTVRKZCFGJY-UHFFFAOYSA-N
XLogP4.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913857
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
4-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914561
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914275
2-[[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112922226
4-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914579
N-(2,6-diethylphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910772
4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112922111
4-[6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914587

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 112922320) is N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is CCc1ccccc1Nc1nc(C)cc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is BEAKTVRKZCFGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-3-18-6-4-5-7-21(18)26-23-25-17(2)16-22(27-23)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 391.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112922320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).