2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol

C13H22N4O2 — CID 133381541

IUPAC2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
SMILESCN(CCO)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C13H22N4O2/c1-16(5-6-18)12-7-13(15-10-14-12)17-4-2-3-11(8-17)9-19/h7,10-11,18-19H,2-6,8-9H2,1H3
InChIKeyMRIHHKCPMIYOGP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.11
Rot. Bonds5

About 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol (PubChem CID 133381541) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
PubChem CID133381541
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
SMILESCN(CCO)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C13H22N4O2/c1-16(5-6-18)12-7-13(15-10-14-12)17-4-2-3-11(8-17)9-19/h7,10-11,18-19H,2-6,8-9H2,1H3
InChIKeyMRIHHKCPMIYOGP-UHFFFAOYSA-N
XLogP0.11
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(4-Cyclopentyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144564
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 72144614
1-{6-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72878549
1-{6-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72912658
[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
CID 73440666
[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
[(3S*,5R*)-1-[6-(dimethylamino)-4-pyrimidinyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72850884
(1-(Pyrimidin-2-yl)piperidin-3-yl)methanol
CID 6456539
(3R*,4S*)-3,4-dimethyl-1-[6-(4-morpholinyl)-4-pyrimidinyl]-4-piperidinol
CID 72915704
[1-[6-[4-[(1-Methylpiperidin-2-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 75420084
4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 75478883

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol (CID 133381541) is 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol is CN(CCO)c1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol?
The InChIKey is MRIHHKCPMIYOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(5-6-18)12-7-13(15-10-14-12)17-4-2-3-11(8-17)9-19/h7,10-11,18-19H,2-6,8-9H2,1H3.
What are the key properties of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol?
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol has a molecular weight of 266.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 133381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).