4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine

C20H23FN6 — CID 46994573

IUPAC4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCN1CCCC1CCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H23FN6/c1-26-12-2-3-17(26)8-10-22-20-23-11-9-19(25-20)15-13-24-27(14-15)18-6-4-16(21)5-7-18/h4-7,9,11,13-14,17H,2-3,8,10,12H2,1H3,(H,22,23,25)
InChIKeyIGPGPEFZDYDHKY-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.36
Rot. Bonds6

About 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine

4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 46994573) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID46994573
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCN1CCCC1CCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H23FN6/c1-26-12-2-3-17(26)8-10-22-20-23-11-9-19(25-20)15-13-24-27(14-15)18-6-4-16(21)5-7-18/h4-7,9,11,13-14,17H,2-3,8,10,12H2,1H3,(H,22,23,25)
InChIKeyIGPGPEFZDYDHKY-UHFFFAOYSA-N
XLogP3.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine (CID 46994573) is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine is CN1CCCC1CCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is IGPGPEFZDYDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-26-12-2-3-17(26)8-10-22-20-23-11-9-19(25-20)15-13-24-27(14-15)18-6-4-16(21)5-7-18/h4-7,9,11,13-14,17H,2-3,8,10,12H2,1H3,(H,22,23,25).
What are the key properties of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 366.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 46994573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).