2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

C20H21FN2O2 — CID 167803312

IUPAC2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C(C)(C)C)c(OCc2cc(=O)n3ccccc3n2)c1F
InChIInChI=1S/C20H21FN2O2/c1-13-8-9-15(20(2,3)4)19(18(13)21)25-12-14-11-17(24)23-10-6-5-7-16(23)22-14/h5-11H,12H2,1-4H3
InChIKeySFFUHKDXMINTDV-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.02
Rot. Bonds3

About 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 167803312) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID167803312
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C(C)(C)C)c(OCc2cc(=O)n3ccccc3n2)c1F
InChIInChI=1S/C20H21FN2O2/c1-13-8-9-15(20(2,3)4)19(18(13)21)25-12-14-11-17(24)23-10-6-5-7-16(23)22-14/h5-11H,12H2,1-4H3
InChIKeySFFUHKDXMINTDV-UHFFFAOYSA-N
XLogP4.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 167803312) is 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(C(C)(C)C)c(OCc2cc(=O)n3ccccc3n2)c1F.
What is the InChIKey of 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SFFUHKDXMINTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-8-9-15(20(2,3)4)19(18(13)21)25-12-14-11-17(24)23-10-6-5-7-16(23)22-14/h5-11H,12H2,1-4H3.
What are the key properties of 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butyl-2-fluoro-3-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167803312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).