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

C20H26N3O+ — CID 9032147

IUPAC1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(=O)n12
InChIInChI=1S/C20H25N3O/c1-13-3-2-4-18-22-17(8-19(24)23(13)18)12-21-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16,21H,5-7,9-12H2,1H3/p+1
InChIKeyJHYOBKGRUVECDT-UHFFFAOYSA-O
MW324.45 g/mol
LogP2.04
Rot. Bonds3

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

1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 9032147) has the molecular formula C20H26N3O+ and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID9032147
Molecular FormulaC20H26N3O+
Molecular Weight324.45 g/mol
Exact Mass324.21
IUPAC Name1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(=O)n12
InChIInChI=1S/C20H25N3O/c1-13-3-2-4-18-22-17(8-19(24)23(13)18)12-21-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16,21H,5-7,9-12H2,1H3/p+1
InChIKeyJHYOBKGRUVECDT-UHFFFAOYSA-O
XLogP2.04
TPSA50.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 9032147) is 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(=O)n12.
What is the InChIKey of 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is JHYOBKGRUVECDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O/c1-13-3-2-4-18-22-17(8-19(24)23(13)18)12-21-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16,21H,5-7,9-12H2,1H3/p+1.
What are the key properties of 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 324.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 9032147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).