2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol

C13H22N4O2 — CID 102536476

IUPAC2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H22N4O2/c18-6-8-19-7-3-14-9-12-10-15-13(16-11-12)17-4-1-2-5-17/h10-11,14,18H,1-9H2
InChIKeyAJUMJEHWEKKSMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.18
Rot. Bonds8

About 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol

2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol (PubChem CID 102536476) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
PubChem CID102536476
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H22N4O2/c18-6-8-19-7-3-14-9-12-10-15-13(16-11-12)17-4-1-2-5-17/h10-11,14,18H,1-9H2
InChIKeyAJUMJEHWEKKSMW-UHFFFAOYSA-N
XLogP0.18
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
CID 102536724
3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
CID 102536485
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524
2-[1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798536
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol
CID 102536454
1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 47626361
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
N-[(2-thiomorpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388026
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 114679313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol (CID 102536476) is 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol is OCCOCCNCc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol?
The InChIKey is AJUMJEHWEKKSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-6-8-19-7-3-14-9-12-10-15-13(16-11-12)17-4-1-2-5-17/h10-11,14,18H,1-9H2.
What are the key properties of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol?
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol has a molecular weight of 266.34 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 102536476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).