3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C15H25N5O3 — CID 56715782

IUPAC3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN(C)Cc2cnc(N)nc2)C1=O
InChIInChI=1S/C15H25N5O3/c1-19(10-12-8-17-14(16)18-9-12)11-15(22)4-3-5-20(13(15)21)6-7-23-2/h8-9,22H,3-7,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyXDBOODKLXREFPP-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.51
Rot. Bonds7

About 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 56715782) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID56715782
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN(C)Cc2cnc(N)nc2)C1=O
InChIInChI=1S/C15H25N5O3/c1-19(10-12-8-17-14(16)18-9-12)11-15(22)4-3-5-20(13(15)21)6-7-23-2/h8-9,22H,3-7,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyXDBOODKLXREFPP-UHFFFAOYSA-N
XLogP-0.51
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 56715782) is 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCCC(O)(CN(C)Cc2cnc(N)nc2)C1=O.
What is the InChIKey of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is XDBOODKLXREFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-19(10-12-8-17-14(16)18-9-12)11-15(22)4-3-5-20(13(15)21)6-7-23-2/h8-9,22H,3-7,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 323.40 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 56715782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).