4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

C22H25FN6 — CID 112895723

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccncc1)c1nccc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H25FN6/c1-27(13-9-18-6-10-24-11-7-18)22-25-12-8-21(26-22)29-16-14-28(15-17-29)20-5-3-2-4-19(20)23/h2-8,10-12H,9,13-17H2,1H3
InChIKeyFQWYYBZVBBXRBC-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.02
Rot. Bonds6

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 112895723) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID112895723
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccncc1)c1nccc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H25FN6/c1-27(13-9-18-6-10-24-11-7-18)22-25-12-8-21(26-22)29-16-14-28(15-17-29)20-5-3-2-4-19(20)23/h2-8,10-12H,9,13-17H2,1H3
InChIKeyFQWYYBZVBBXRBC-UHFFFAOYSA-N
XLogP3.02
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 112954567
N-methyl-5-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954689
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887167
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 112923645
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954718
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 112895723) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is CN(CCc1ccncc1)c1nccc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is FQWYYBZVBBXRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-27(13-9-18-6-10-24-11-7-18)22-25-12-8-21(26-22)29-16-14-28(15-17-29)20-5-3-2-4-19(20)23/h2-8,10-12H,9,13-17H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 392.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112895723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).