2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol

C8H15N3O2 — CID 174968309

IUPAC2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol
SMILESOCCNC(CO)N1C=CC=NC1
InChIInChI=1S/C8H15N3O2/c12-5-3-10-8(6-13)11-4-1-2-9-7-11/h1-2,4,8,10,12-13H,3,5-7H2
InChIKeyPNPNNNBDUCMGIQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.26
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol

2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol (PubChem CID 174968309) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol
PubChem CID174968309
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol
SMILESOCCNC(CO)N1C=CC=NC1
InChIInChI=1S/C8H15N3O2/c12-5-3-10-8(6-13)11-4-1-2-9-7-11/h1-2,4,8,10,12-13H,3,5-7H2
InChIKeyPNPNNNBDUCMGIQ-UHFFFAOYSA-N
XLogP-1.26
TPSA68.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol (CID 174968309) is 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol is OCCNC(CO)N1C=CC=NC1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol?
The InChIKey is PNPNNNBDUCMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c12-5-3-10-8(6-13)11-4-1-2-9-7-11/h1-2,4,8,10,12-13H,3,5-7H2.
What are the key properties of 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol?
2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol has a molecular weight of 185.23 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol is sourced from PubChem (CID 174968309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).