(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol

C15H19N5O — CID 70769986

IUPAC(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
SMILESN[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O
InChIInChI=1S/C15H19N5O/c16-12-4-6-20(10-14(12)21)9-11-7-18-15(19-8-11)13-3-1-2-5-17-13/h1-3,5,7-8,12,14,21H,4,6,9-10,16H2/t12-,14-/m1/s1
InChIKeyCPZATEDQCCKYGK-TZMCWYRMSA-N
MW285.35 g/mol
LogP0.43
Rot. Bonds3

About (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol

(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol (PubChem CID 70769986) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
PubChem CID70769986
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
SMILESN[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O
InChIInChI=1S/C15H19N5O/c16-12-4-6-20(10-14(12)21)9-11-7-18-15(19-8-11)13-3-1-2-5-17-13/h1-3,5,7-8,12,14,21H,4,6,9-10,16H2/t12-,14-/m1/s1
InChIKeyCPZATEDQCCKYGK-TZMCWYRMSA-N
XLogP0.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99950359
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70788915
(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95199285
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
(2R)-2-(pyrazol-1-ylmethyl)-4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4-oxazepane
CID 99946385
4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol
CID 141047343
2-pyridin-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrimidine
CID 77091403
5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 56722948
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
CID 70786002

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol (CID 70769986) is (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol is N[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
The InChIKey is CPZATEDQCCKYGK-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H19N5O/c16-12-4-6-20(10-14(12)21)9-11-7-18-15(19-8-11)13-3-1-2-5-17-13/h1-3,5,7-8,12,14,21H,4,6,9-10,16H2/t12-,14-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol has a molecular weight of 285.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 70769986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).