2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H21N3O — CID 55104757

IUPAC2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(C)C(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-4-11(2)12(3)16-10-13-9-15(19)18-8-6-5-7-14(18)17-13/h5-9,11-12,16H,4,10H2,1-3H3
InChIKeyMDNSKPQCZARPDT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.22
Rot. Bonds5

About 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55104757) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55104757
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(C)C(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-4-11(2)12(3)16-10-13-9-15(19)18-8-6-5-7-14(18)17-13/h5-9,11-12,16H,4,10H2,1-3H3
InChIKeyMDNSKPQCZARPDT-UHFFFAOYSA-N
XLogP2.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55104757) is 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CCC(C)C(C)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MDNSKPQCZARPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-11(2)12(3)16-10-13-9-15(19)18-8-6-5-7-14(18)17-13/h5-9,11-12,16H,4,10H2,1-3H3.
What are the key properties of 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55104757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).