4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine

C18H18FN5O — CID 22464162

IUPAC4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1
InChIInChI=1S/C18H18FN5O/c19-13-3-1-12(2-4-13)16-17(15-5-8-21-18(20)23-15)24(11-22-16)14-6-9-25-10-7-14/h1-5,8,11,14H,6-7,9-10H2,(H2,20,21,23)
InChIKeyFEKULGGHHZEMMU-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.08
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine

4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 22464162) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID22464162
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1
InChIInChI=1S/C18H18FN5O/c19-13-3-1-12(2-4-13)16-17(15-5-8-21-18(20)23-15)24(11-22-16)14-6-9-25-10-7-14/h1-5,8,11,14H,6-7,9-10H2,(H2,20,21,23)
InChIKeyFEKULGGHHZEMMU-UHFFFAOYSA-N
XLogP3.08
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine (CID 22464162) is 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is FEKULGGHHZEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-13-3-1-12(2-4-13)16-17(15-5-8-21-18(20)23-15)24(11-22-16)14-6-9-25-10-7-14/h1-5,8,11,14H,6-7,9-10H2,(H2,20,21,23).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 339.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 22464162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).