2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol

C12H20N4O3 — CID 175554485

IUPAC2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
SMILESCOC1CCN(c2nccc(N)n2)CC1OCCO
InChIInChI=1S/C12H20N4O3/c1-18-9-3-5-16(8-10(9)19-7-6-17)12-14-4-2-11(13)15-12/h2,4,9-10,17H,3,5-8H2,1H3,(H2,13,14,15)
InChIKeyCQTUNFXHAOERLR-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.34
Rot. Bonds5

About 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol

2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol (PubChem CID 175554485) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
PubChem CID175554485
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
SMILESCOC1CCN(c2nccc(N)n2)CC1OCCO
InChIInChI=1S/C12H20N4O3/c1-18-9-3-5-16(8-10(9)19-7-6-17)12-14-4-2-11(13)15-12/h2,4,9-10,17H,3,5-8H2,1H3,(H2,13,14,15)
InChIKeyCQTUNFXHAOERLR-UHFFFAOYSA-N
XLogP-0.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
CID 156538204
1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
CID 156538123
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
2-[(3R,4S)-4-methoxy-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-3-yl]oxyethanol
CID 166546709
2-[(3S,4R)-4-methoxy-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-3-yl]oxyethanol
CID 166546996
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
(3R,4S)-4-(2-methoxyethoxy)-1-(4-methylsulfanylpyrimidin-2-yl)piperidin-3-ol
CID 156550491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol (CID 175554485) is 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol is COC1CCN(c2nccc(N)n2)CC1OCCO.
What is the InChIKey of 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol?
The InChIKey is CQTUNFXHAOERLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-9-3-5-16(8-10(9)19-7-6-17)12-14-4-2-11(13)15-12/h2,4,9-10,17H,3,5-8H2,1H3,(H2,13,14,15).
What are the key properties of 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol?
2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol has a molecular weight of 268.32 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol is sourced from PubChem (CID 175554485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).