9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C13H17N3O2 — CID 121379172

IUPAC9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CNCc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C13H17N3O2/c1-9(2)7-14-8-10-6-12(18)16-5-3-4-11(17)13(16)15-10/h3-6,9,14,17H,7-8H2,1-2H3
InChIKeyRMWLSIKXOYFCMT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.15
Rot. Bonds4

About 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 121379172) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID121379172
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CNCc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C13H17N3O2/c1-9(2)7-14-8-10-6-12(18)16-5-3-4-11(17)13(16)15-10/h3-6,9,14,17H,7-8H2,1-2H3
InChIKeyRMWLSIKXOYFCMT-UHFFFAOYSA-N
XLogP1.15
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 121379172) is 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)CNCc1cc(=O)n2cccc(O)c2n1.
What is the InChIKey of 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RMWLSIKXOYFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)7-14-8-10-6-12(18)16-5-3-4-11(17)13(16)15-10/h3-6,9,14,17H,7-8H2,1-2H3.
What are the key properties of 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121379172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).