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

C22H24FN5 — CID 112896577

IUPACN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCc1ccccc1Nc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H24FN5/c1-2-17-5-3-4-6-20(17)25-22-24-12-11-21(26-22)28-15-13-27(14-16-28)19-9-7-18(23)8-10-19/h3-12H,2,13-16H2,1H3,(H,24,25,26)
InChIKeyCHLKCFDYDMHKKK-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.25
Rot. Bonds5

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

N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112896577) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112896577
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCc1ccccc1Nc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H24FN5/c1-2-17-5-3-4-6-20(17)25-22-24-12-11-21(26-22)28-15-13-27(14-16-28)19-9-7-18(23)8-10-19/h3-12H,2,13-16H2,1H3,(H,24,25,26)
InChIKeyCHLKCFDYDMHKKK-UHFFFAOYSA-N
XLogP4.25
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112922320
1-[2-(2-ethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193987
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896582
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
N-(2-ethylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958044

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112896577) is N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine is CCc1ccccc1Nc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is CHLKCFDYDMHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-2-17-5-3-4-6-20(17)25-22-24-12-11-21(26-22)28-15-13-27(14-16-28)19-9-7-18(23)8-10-19/h3-12H,2,13-16H2,1H3,(H,24,25,26).
What are the key properties of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 4.25, 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]pyrimidin-2-amine is sourced from PubChem (CID 112896577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).