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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Related Compounds

3-Hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]piperidin-2-one
CID 56750330
N~3~-[(2-amino-5-pyrimidinyl)methyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide
CID 72902403
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 156313504
4-(3-Hydroxy-2-oxopyrrolidin-1-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 156313508
1-[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 97492487
1-[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 97492488
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(1-methylpiperidin-3-yl)methanone
CID 122258281
[1-(5-Fluoropyrimidin-2-yl)-3-hydroxypiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 137842697
3-Hydroxy-1-(2-methoxyethyl)-3-{[4-(pyrimidin-2-yloxy)piperidin-1-YL]methyl}piperidin-2-one
CID 56742436

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).