[(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol

C19H35N5O2 — CID 70739530

IUPAC[(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
SMILESCOCCN(C)C[C@H]1C[C@H](CO)CN(c2nc(N(C)C)nc(C)c2C)C1
InChIInChI=1S/C19H35N5O2/c1-14-15(2)20-19(22(3)4)21-18(14)24-11-16(9-17(12-24)13-25)10-23(5)7-8-26-6/h16-17,25H,7-13H2,1-6H3/t16-,17+/m1/s1
InChIKeyLXMSITBGHCOMDK-SJORKVTESA-N
MW365.52 g/mol
LogP1.17
Rot. Bonds8

About [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol

[(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol (PubChem CID 70739530) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
PubChem CID70739530
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name[(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
SMILESCOCCN(C)C[C@H]1C[C@H](CO)CN(c2nc(N(C)C)nc(C)c2C)C1
InChIInChI=1S/C19H35N5O2/c1-14-15(2)20-19(22(3)4)21-18(14)24-11-16(9-17(12-24)13-25)10-23(5)7-8-26-6/h16-17,25H,7-13H2,1-6H3/t16-,17+/m1/s1
InChIKeyLXMSITBGHCOMDK-SJORKVTESA-N
XLogP1.17
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

3-[(3R*,4S*)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
CID 72895556
4-[(5R)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 95717606
[(3S)-1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
CID 164637595
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
CID 133886991
[4,4-Difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 138043478
1-[2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl]-3-piperidinol trifluoroacetate (salt)
CID 45190787
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70747135
(1-{2-[(5,6-Dimethylpyrimidin-4-YL)amino]ethyl}piperidin-3-YL)methanol
CID 72889846
3-(4,6-Dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropan-1-ol
CID 90997311
N,N,5-triethyl-6-methyl-2-(3-morpholin-4-ylpropoxy)pyrimidin-4-amine
CID 132163232
4-[[2-[2-(Dimethylamino)ethoxy]-5-ethyl-6-methylpyrimidin-4-yl]-ethylamino]butan-1-ol
CID 132163236
2-[[1-[(E)-[(2-chloro-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)-piperidin-1-ylmethylidene]amino]-2-methylprop-1-enyl]-(2-hydroxyethyl)amino]ethanol
CID 144290359

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol (CID 70739530) is [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol is COCCN(C)C[C@H]1C[C@H](CO)CN(c2nc(N(C)C)nc(C)c2C)C1.
What is the InChIKey of [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The InChIKey is LXMSITBGHCOMDK-SJORKVTESA-N. The full InChI is InChI=1S/C19H35N5O2/c1-14-15(2)20-19(22(3)4)21-18(14)24-11-16(9-17(12-24)13-25)10-23(5)7-8-26-6/h16-17,25H,7-13H2,1-6H3/t16-,17+/m1/s1.
What are the key properties of [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
[(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol has a molecular weight of 365.52 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70739530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).