2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol

C11H18N4O2 — CID 117083398

IUPAC2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C11H18N4O2/c16-7-5-12-10-3-4-13-11(14-10)15-6-1-2-9(15)8-17/h3-4,9,16-17H,1-2,5-8H2,(H,12,13,14)
InChIKeyPNYIEJKSKCNUOE-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.16
Rot. Bonds5

About 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 117083398) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID117083398
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C11H18N4O2/c16-7-5-12-10-3-4-13-11(14-10)15-6-1-2-9(15)8-17/h3-4,9,16-17H,1-2,5-8H2,(H,12,13,14)
InChIKeyPNYIEJKSKCNUOE-UHFFFAOYSA-N
XLogP-0.16
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 117083398) is 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol is OCCNc1ccnc(N2CCCC2CO)n1.
What is the InChIKey of 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is PNYIEJKSKCNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-7-5-12-10-3-4-13-11(14-10)15-6-1-2-9(15)8-17/h3-4,9,16-17H,1-2,5-8H2,(H,12,13,14).
What are the key properties of 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 238.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117083398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).