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

C16H23N3O — CID 60687974

IUPAC2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCC(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O/c1-3-4-5-8-13(2)17-12-14-11-16(20)19-10-7-6-9-15(19)18-14/h6-7,9-11,13,17H,3-5,8,12H2,1-2H3
InChIKeyALWNFXNXHCOKDZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds7

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

2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60687974) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60687974
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCC(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O/c1-3-4-5-8-13(2)17-12-14-11-16(20)19-10-7-6-9-15(19)18-14/h6-7,9-11,13,17H,3-5,8,12H2,1-2H3
InChIKeyALWNFXNXHCOKDZ-UHFFFAOYSA-N
XLogP2.75
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60687974) is 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CCCCCC(C)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ALWNFXNXHCOKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-4-5-8-13(2)17-12-14-11-16(20)19-10-7-6-9-15(19)18-14/h6-7,9-11,13,17H,3-5,8,12H2,1-2H3.
What are the key properties of 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(heptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60687974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).