4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine

C19H16FN5O — CID 46987286

IUPAC4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(-c3cnn(-c4ccc(F)cc4)c3)n2)o1
InChIInChI=1S/C19H16FN5O/c1-13-2-7-17(26-13)11-22-19-21-9-8-18(24-19)14-10-23-25(12-14)16-5-3-15(20)4-6-16/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKeyCVXQXSVNCPJCOU-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.98
Rot. Bonds5

About 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine

4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine (PubChem CID 46987286) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine
PubChem CID46987286
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(-c3cnn(-c4ccc(F)cc4)c3)n2)o1
InChIInChI=1S/C19H16FN5O/c1-13-2-7-17(26-13)11-22-19-21-9-8-18(24-19)14-10-23-25(12-14)16-5-3-15(20)4-6-16/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKeyCVXQXSVNCPJCOU-UHFFFAOYSA-N
XLogP3.98
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.98
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-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine (CID 46987286) is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine is Cc1ccc(CNc2nccc(-c3cnn(-c4ccc(F)cc4)c3)n2)o1.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is CVXQXSVNCPJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-13-2-7-17(26-13)11-22-19-21-9-8-18(24-19)14-10-23-25(12-14)16-5-3-15(20)4-6-16/h2-10,12H,11H2,1H3,(H,21,22,24).
What are the key properties of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine?
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 349.37 g/mol, XLogP of 3.98, 5 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-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 46987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).