5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine

C18H25FN4O2 — CID 154248901

IUPAC5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine
SMILESCc1ncc(C2=NCN(C3CCOCC3)C=C2F)n1C1CCOCC1
InChIInChI=1S/C18H25FN4O2/c1-13-20-10-17(23(13)15-4-8-25-9-5-15)18-16(19)11-22(12-21-18)14-2-6-24-7-3-14/h10-11,14-15H,2-9,12H2,1H3
InChIKeyLAKAQBAUUKMJTK-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.60
Rot. Bonds3

About 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine

5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine (PubChem CID 154248901) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine
PubChem CID154248901
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine
SMILESCc1ncc(C2=NCN(C3CCOCC3)C=C2F)n1C1CCOCC1
InChIInChI=1S/C18H25FN4O2/c1-13-20-10-17(23(13)15-4-8-25-9-5-15)18-16(19)11-22(12-21-18)14-2-6-24-7-3-14/h10-11,14-15H,2-9,12H2,1H3
InChIKeyLAKAQBAUUKMJTK-UHFFFAOYSA-N
XLogP2.60
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine?
The IUPAC name of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine (CID 154248901) is 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine.
What is the SMILES notation for 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine?
The canonical SMILES for 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine is Cc1ncc(C2=NCN(C3CCOCC3)C=C2F)n1C1CCOCC1.
What is the InChIKey of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine?
The InChIKey is LAKAQBAUUKMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-20-10-17(23(13)15-4-8-25-9-5-15)18-16(19)11-22(12-21-18)14-2-6-24-7-3-14/h10-11,14-15H,2-9,12H2,1H3.
What are the key properties of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine?
5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine has a molecular weight of 348.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-1-(oxan-4-yl)-2H-pyrimidine is sourced from PubChem (CID 154248901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).