2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine

C14H16FN3 — CID 178058356

IUPAC2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine
SMILESC/C=C/C1(F)CC(c2cn3cc(C)cnc3n2)C1
InChIInChI=1S/C14H16FN3/c1-3-4-14(15)5-11(6-14)12-9-18-8-10(2)7-16-13(18)17-12/h3-4,7-9,11H,5-6H2,1-2H3/b4-3+
InChIKeyMWHCBRINWYAVMS-ONEGZZNKSA-N
MW245.30 g/mol
LogP3.20
Rot. Bonds2

About 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine

2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine (PubChem CID 178058356) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine
PubChem CID178058356
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine
SMILESC/C=C/C1(F)CC(c2cn3cc(C)cnc3n2)C1
InChIInChI=1S/C14H16FN3/c1-3-4-14(15)5-11(6-14)12-9-18-8-10(2)7-16-13(18)17-12/h3-4,7-9,11H,5-6H2,1-2H3/b4-3+
InChIKeyMWHCBRINWYAVMS-ONEGZZNKSA-N
XLogP3.20
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine (CID 178058356) is 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine is C/C=C/C1(F)CC(c2cn3cc(C)cnc3n2)C1.
What is the InChIKey of 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine?
The InChIKey is MWHCBRINWYAVMS-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-4-14(15)5-11(6-14)12-9-18-8-10(2)7-16-13(18)17-12/h3-4,7-9,11H,5-6H2,1-2H3/b4-3+.
What are the key properties of 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine?
2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine has a molecular weight of 245.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-3-[(E)-prop-1-enyl]cyclobutyl]-6-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 178058356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).