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

C17H30N6O2 — CID 171359916

IUPAC2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2CC(CO)CC(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)
InChIKeyOMTNXAUCDXZOQR-UHFFFAOYSA-N
MW350.47 g/mol
LogP-0.01
Rot. Bonds7

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

2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 171359916) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID171359916
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2CC(CO)CC(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)
InChIKeyOMTNXAUCDXZOQR-UHFFFAOYSA-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-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
[(3S*,5R*)-1-[6-(dimethylamino)-4-pyrimidinyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72850884
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
[1-[6-(1-Morpholin-4-ylpropan-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144609
[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 95124436
1-[4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 95763910
[(3R)-1-(2-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97123315
2-[[6-[(1-Cyclopentylpiperidin-4-yl)methylamino]pyrimidin-4-yl]amino]ethanol
CID 132412995
2-[[4-(Hydroxymethyl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 168457007
2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
CID 171358918
2-[[6-(3-Methylpiperidin-1-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 171359339
[1-[[4-(Hydroxymethyl)-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 171359657

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 171359916) is 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is Nc1nc(NCCO)cc(N2CC(CO)CC(CN3CCCC3)C2)n1.
What is the InChIKey of 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is OMTNXAUCDXZOQR-UHFFFAOYSA-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).
What are the key properties of 2-[[2-amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[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-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 171359916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).