2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C17H23N3O — CID 60672983

IUPAC2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCCCCCC2)nc2ccccn12
InChIInChI=1S/C17H23N3O/c21-17-12-15(19-16-10-6-7-11-20(16)17)13-18-14-8-4-2-1-3-5-9-14/h6-7,10-12,14,18H,1-5,8-9,13H2
InChIKeyQOZLBNIEXDFRTD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.90
Rot. Bonds3

About 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60672983) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60672983
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCCCCCC2)nc2ccccn12
InChIInChI=1S/C17H23N3O/c21-17-12-15(19-16-10-6-7-11-20(16)17)13-18-14-8-4-2-1-3-5-9-14/h6-7,10-12,14,18H,1-5,8-9,13H2
InChIKeyQOZLBNIEXDFRTD-UHFFFAOYSA-N
XLogP2.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60672983) is 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2CCCCCCC2)nc2ccccn12.
What is the InChIKey of 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QOZLBNIEXDFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17-12-15(19-16-10-6-7-11-20(16)17)13-18-14-8-4-2-1-3-5-9-14/h6-7,10-12,14,18H,1-5,8-9,13H2.
What are the key properties of 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclooctylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60672983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).