2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

C17H30N6O2 — CID 86283680

IUPAC2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2C[C@H](CO)C[C@H](CN3CCCC3)C2)n1
InChIInChI=1S/C17H30N6O2/c18-17-20-15(19-3-6-24)8-16(21-17)23-10-13(7-14(11-23)12-25)9-22-4-1-2-5-22/h8,13-14,24-25H,1-7,9-12H2,(H3,18,19,20,21)/t13-,14-/m1/s1
InChIKeyOMTNXAUCDXZOQR-ZIAGYGMSSA-N
MW350.47 g/mol
LogP-0.01
Rot. Bonds7

About 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 86283680) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID86283680
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2C[C@H](CO)C[C@H](CN3CCCC3)C2)n1
InChIInChI=1S/C17H30N6O2/c18-17-20-15(19-3-6-24)8-16(21-17)23-10-13(7-14(11-23)12-25)9-22-4-1-2-5-22/h8,13-14,24-25H,1-7,9-12H2,(H3,18,19,20,21)/t13-,14-/m1/s1
InChIKeyOMTNXAUCDXZOQR-ZIAGYGMSSA-N
XLogP-0.01
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 86283680) is 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is Nc1nc(NCCO)cc(N2C[C@H](CO)C[C@H](CN3CCCC3)C2)n1.
What is the InChIKey of 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is OMTNXAUCDXZOQR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H30N6O2/c18-17-20-15(19-3-6-24)8-16(21-17)23-10-13(7-14(11-23)12-25)9-22-4-1-2-5-22/h8,13-14,24-25H,1-7,9-12H2,(H3,18,19,20,21)/t13-,14-/m1/s1.
What are the key properties of 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 350.47 g/mol, XLogP of -0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 86283680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).