4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C19H15FN6 — CID 31105252

IUPAC4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESFc1ccccc1-n1cc(-c2ccnc(NCc3ccncc3)n2)cn1
InChIInChI=1S/C19H15FN6/c20-16-3-1-2-4-18(16)26-13-15(12-24-26)17-7-10-22-19(25-17)23-11-14-5-8-21-9-6-14/h1-10,12-13H,11H2,(H,22,23,25)
InChIKeyJNBSYGMGTSHVEP-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.48
Rot. Bonds5

About 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 31105252) has the molecular formula C19H15FN6 and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID31105252
Molecular FormulaC19H15FN6
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESFc1ccccc1-n1cc(-c2ccnc(NCc3ccncc3)n2)cn1
InChIInChI=1S/C19H15FN6/c20-16-3-1-2-4-18(16)26-13-15(12-24-26)17-7-10-22-19(25-17)23-11-14-5-8-21-9-6-14/h1-10,12-13H,11H2,(H,22,23,25)
InChIKeyJNBSYGMGTSHVEP-UHFFFAOYSA-N
XLogP3.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 31105252) is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is Fc1ccccc1-n1cc(-c2ccnc(NCc3ccncc3)n2)cn1.
What is the InChIKey of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is JNBSYGMGTSHVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6/c20-16-3-1-2-4-18(16)26-13-15(12-24-26)17-7-10-22-19(25-17)23-11-14-5-8-21-9-6-14/h1-10,12-13H,11H2,(H,22,23,25).
What are the key properties of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 346.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 31105252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).