3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one

C20H33N5O2 — CID 56739653

IUPAC3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
SMILESCN(Cc1cnc(N)nc1)CC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C20H33N5O2/c1-24(14-17-12-22-19(21)23-13-17)15-20(27)9-5-10-25(18(20)26)11-8-16-6-3-2-4-7-16/h12-13,16,27H,2-11,14-15H2,1H3,(H2,21,22,23)
InChIKeyTYVLSZHUUHXAQB-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.81
Rot. Bonds7

About 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one

3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one (PubChem CID 56739653) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
PubChem CID56739653
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
SMILESCN(Cc1cnc(N)nc1)CC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C20H33N5O2/c1-24(14-17-12-22-19(21)23-13-17)15-20(27)9-5-10-25(18(20)26)11-8-16-6-3-2-4-7-16/h12-13,16,27H,2-11,14-15H2,1H3,(H2,21,22,23)
InChIKeyTYVLSZHUUHXAQB-UHFFFAOYSA-N
XLogP1.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one with MolForge

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Related Compounds

(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]methyl]piperidin-2-one
CID 95207996
3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56715782
1-(2-cyclohexylethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
CID 56742880
(3S)-3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95207502
1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one
CID 56757869
1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 56755210
1-(2-cyclohexylethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45235783
(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 42565885
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
CID 45179446
1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-hydroxy-1-methylpiperidin-4-yl)methylamino]methyl]piperidin-2-one
CID 56738972
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
CID 95228250

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one (CID 56739653) is 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one is CN(Cc1cnc(N)nc1)CC1(O)CCCN(CCC2CCCCC2)C1=O.
What is the InChIKey of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
The InChIKey is TYVLSZHUUHXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-24(14-17-12-22-19(21)23-13-17)15-20(27)9-5-10-25(18(20)26)11-8-16-6-3-2-4-7-16/h12-13,16,27H,2-11,14-15H2,1H3,(H2,21,22,23).
What are the key properties of 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 56739653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).