(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol

C10H16N4O2 — CID 156538124

IUPAC(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
SMILESCO[C@@H]1CCN(c2nccc(N)n2)C[C@@H]1O
InChIInChI=1S/C10H16N4O2/c1-16-8-3-5-14(6-7(8)15)10-12-4-2-9(11)13-10/h2,4,7-8,15H,3,5-6H2,1H3,(H2,11,12,13)/t7-,8+/m0/s1
InChIKeyGDDZGMWAHREXOQ-JGVFFNPUSA-N
MW224.26 g/mol
LogP-0.36
Rot. Bonds2

About (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol

(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol (PubChem CID 156538124) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
PubChem CID156538124
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
SMILESCO[C@@H]1CCN(c2nccc(N)n2)C[C@@H]1O
InChIInChI=1S/C10H16N4O2/c1-16-8-3-5-14(6-7(8)15)10-12-4-2-9(11)13-10/h2,4,7-8,15H,3,5-6H2,1H3,(H2,11,12,13)/t7-,8+/m0/s1
InChIKeyGDDZGMWAHREXOQ-JGVFFNPUSA-N
XLogP-0.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
CID 156538204
2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
CID 175554485
1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
CID 156538123
(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
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
CID 166546943
CID 166546943
(3R,4S)-4-(2-methoxyethoxy)-1-(4-methylsulfanylpyrimidin-2-yl)piperidin-3-ol
CID 156550491
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 72909986

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol?
The IUPAC name of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol (CID 156538124) is (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol is CO[C@@H]1CCN(c2nccc(N)n2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol?
The InChIKey is GDDZGMWAHREXOQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-8-3-5-14(6-7(8)15)10-12-4-2-9(11)13-10/h2,4,7-8,15H,3,5-6H2,1H3,(H2,11,12,13)/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol?
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol has a molecular weight of 224.26 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol is sourced from PubChem (CID 156538124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).