[(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C16H18N3O2+ — CID 8917711

IUPAC[(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH2+][C@@H](C)c3ccco3)cc(=O)n12
InChIInChI=1S/C16H17N3O2/c1-11-5-3-7-15-18-13(9-16(20)19(11)15)10-17-12(2)14-6-4-8-21-14/h3-9,12,17H,10H2,1-2H3/p+1/t12-/m0/s1
InChIKeyPIBAQWBHTILHIL-LBPRGKRZSA-O
MW284.34 g/mol
LogP1.42
Rot. Bonds4

About [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

[(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8917711) has the molecular formula C16H18N3O2+ and a molecular weight of 284.34 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8917711
Molecular FormulaC16H18N3O2+
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name[(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH2+][C@@H](C)c3ccco3)cc(=O)n12
InChIInChI=1S/C16H17N3O2/c1-11-5-3-7-15-18-13(9-16(20)19(11)15)10-17-12(2)14-6-4-8-21-14/h3-9,12,17H,10H2,1-2H3/p+1/t12-/m0/s1
InChIKeyPIBAQWBHTILHIL-LBPRGKRZSA-O
XLogP1.42
TPSA64.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium with MolForge

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710607
[(1S)-1-(4-chlorophenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710605
[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8774843
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9032147
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 94644518
[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8993460
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9253765
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8710339
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
2-[[[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 164633343

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8917711) is [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc2nc(C[NH2+][C@@H](C)c3ccco3)cc(=O)n12.
What is the InChIKey of [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is PIBAQWBHTILHIL-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H17N3O2/c1-11-5-3-7-15-18-13(9-16(20)19(11)15)10-17-12(2)14-6-4-8-21-14/h3-9,12,17H,10H2,1-2H3/p+1/t12-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
[(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 284.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8917711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).