2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one

C15H18FN3O2 — CID 167939027

IUPAC2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(NCC3(F)CC(CO)C3)nc12
InChIInChI=1S/C15H18FN3O2/c1-10-3-2-4-19-13(21)5-12(18-14(10)19)17-9-15(16)6-11(7-15)8-20/h2-5,11,17,20H,6-9H2,1H3
InChIKeyRDZJIRSAJLLKDF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.53
Rot. Bonds4

About 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167939027) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167939027
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(NCC3(F)CC(CO)C3)nc12
InChIInChI=1S/C15H18FN3O2/c1-10-3-2-4-19-13(21)5-12(18-14(10)19)17-9-15(16)6-11(7-15)8-20/h2-5,11,17,20H,6-9H2,1H3
InChIKeyRDZJIRSAJLLKDF-UHFFFAOYSA-N
XLogP1.53
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 167939027) is 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(NCC3(F)CC(CO)C3)nc12.
What is the InChIKey of 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RDZJIRSAJLLKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-3-2-4-19-13(21)5-12(18-14(10)19)17-9-15(16)6-11(7-15)8-20/h2-5,11,17,20H,6-9H2,1H3.
What are the key properties of 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 291.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167939027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).