2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol

C10H16N4O — CID 110254170

IUPAC2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol
SMILESNc1nccc(C2CCN(CCO)C2)n1
InChIInChI=1S/C10H16N4O/c11-10-12-3-1-9(13-10)8-2-4-14(7-8)5-6-15/h1,3,8,15H,2,4-7H2,(H2,11,12,13)
InChIKeyZEVDLWSSJHURTK-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.16
Rot. Bonds3

About 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol

2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol (PubChem CID 110254170) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol
PubChem CID110254170
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol
SMILESNc1nccc(C2CCN(CCO)C2)n1
InChIInChI=1S/C10H16N4O/c11-10-12-3-1-9(13-10)8-2-4-14(7-8)5-6-15/h1,3,8,15H,2,4-7H2,(H2,11,12,13)
InChIKeyZEVDLWSSJHURTK-UHFFFAOYSA-N
XLogP-0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol (CID 110254170) is 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol is Nc1nccc(C2CCN(CCO)C2)n1.
What is the InChIKey of 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is ZEVDLWSSJHURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10-12-3-1-9(13-10)8-2-4-14(7-8)5-6-15/h1,3,8,15H,2,4-7H2,(H2,11,12,13).
What are the key properties of 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol?
2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 208.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 110254170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).