2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H18N4O — CID 55030278

IUPAC2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESNCC1CCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C14H18N4O/c15-8-11-4-6-17(9-11)10-12-7-14(19)18-5-2-1-3-13(18)16-12/h1-3,5,7,11H,4,6,8-10,15H2
InChIKeyMHJGJTNXKLYSBJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.48
Rot. Bonds3

About 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55030278) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55030278
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESNCC1CCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C14H18N4O/c15-8-11-4-6-17(9-11)10-12-7-14(19)18-5-2-1-3-13(18)16-12/h1-3,5,7,11H,4,6,8-10,15H2
InChIKeyMHJGJTNXKLYSBJ-UHFFFAOYSA-N
XLogP0.48
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55030278) is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is NCC1CCN(Cc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MHJGJTNXKLYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-11-4-6-17(9-11)10-12-7-14(19)18-5-2-1-3-13(18)16-12/h1-3,5,7,11H,4,6,8-10,15H2.
What are the key properties of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55030278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).