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

C13H18ClN3O2 — CID 121379171

IUPAChydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride
SMILESCC(C)CNCc1cc(=O)n2cccc(O)c2n1.[Cl-].[H+]
InChIInChI=1S/C13H17N3O2.ClH/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;1H
InChIKeyJEZCSAXKXQJBOO-UHFFFAOYSA-N
MW283.76 g/mol
LogP-1.74
Rot. Bonds4

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

hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride (PubChem CID 121379171) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride.

Molecular Properties

Compound Namehydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride
PubChem CID121379171
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Namehydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride
SMILESCC(C)CNCc1cc(=O)n2cccc(O)c2n1.[Cl-].[H+]
InChIInChI=1S/C13H17N3O2.ClH/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;1H
InChIKeyJEZCSAXKXQJBOO-UHFFFAOYSA-N
XLogP-1.74
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride?
The IUPAC name of hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride (CID 121379171) is hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride.
What is the SMILES notation for hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride?
The canonical SMILES for hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride is CC(C)CNCc1cc(=O)n2cccc(O)c2n1.[Cl-].[H+].
What is the InChIKey of hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride?
The InChIKey is JEZCSAXKXQJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/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;1H.
What are the key properties of hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride?
hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride has a molecular weight of 283.76 g/mol, XLogP of -1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride is sourced from PubChem (CID 121379171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).