1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol

C12H20N4O3 — CID 156538204

IUPAC1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
SMILESCOCCOC1CCN(c2nccc(N)n2)CC1O
InChIInChI=1S/C12H20N4O3/c1-18-6-7-19-10-3-5-16(8-9(10)17)12-14-4-2-11(13)15-12/h2,4,9-10,17H,3,5-8H2,1H3,(H2,13,14,15)
InChIKeyVLSHMXICBZKTNM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.34
Rot. Bonds5

About 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol

1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol (PubChem CID 156538204) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
PubChem CID156538204
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
SMILESCOCCOC1CCN(c2nccc(N)n2)CC1O
InChIInChI=1S/C12H20N4O3/c1-18-6-7-19-10-3-5-16(8-9(10)17)12-14-4-2-11(13)15-12/h2,4,9-10,17H,3,5-8H2,1H3,(H2,13,14,15)
InChIKeyVLSHMXICBZKTNM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
(3R,4S)-4-(2-methoxyethoxy)-1-(4-methylsulfanylpyrimidin-2-yl)piperidin-3-ol
CID 156550491
2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
CID 175554485
(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
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
CID 156538123
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
CID 166546943
CID 166546943
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol?
The IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol (CID 156538204) is 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol.
What is the SMILES notation for 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol?
The canonical SMILES for 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol is COCCOC1CCN(c2nccc(N)n2)CC1O.
What is the InChIKey of 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol?
The InChIKey is VLSHMXICBZKTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-6-7-19-10-3-5-16(8-9(10)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 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol?
1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol 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 1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol is sourced from PubChem (CID 156538204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).