3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 175900172

IUPAC3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(O)CC(NCc2cnc3ccccn3c2=O)C1
InChIInChI=1S/C14H17N3O2/c1-14(19)6-11(7-14)15-8-10-9-16-12-4-2-3-5-17(12)13(10)18/h2-5,9,11,15,19H,6-8H2,1H3
InChIKeyNYBCSJSRYFVSQN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.70
Rot. Bonds3

About 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175900172) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID175900172
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(O)CC(NCc2cnc3ccccn3c2=O)C1
InChIInChI=1S/C14H17N3O2/c1-14(19)6-11(7-14)15-8-10-9-16-12-4-2-3-5-17(12)13(10)18/h2-5,9,11,15,19H,6-8H2,1H3
InChIKeyNYBCSJSRYFVSQN-UHFFFAOYSA-N
XLogP0.70
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 175900172) is 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC1(O)CC(NCc2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NYBCSJSRYFVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(19)6-11(7-14)15-8-10-9-16-12-4-2-3-5-17(12)13(10)18/h2-5,9,11,15,19H,6-8H2,1H3.
What are the key properties of 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175900172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).