2-(pyrimidin-2-ylamino)ethanol

C6H9N3O — CID 572714

IUPAC2-(pyrimidin-2-ylamino)ethanol
SMILESOCCNc1ncccn1
InChIInChI=1S/C6H9N3O/c10-5-4-9-6-7-2-1-3-8-6/h1-3,10H,4-5H2,(H,7,8,9)
InChIKeyKTMJYEXQVZXYKE-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.12
Rot. Bonds3

About 2-(pyrimidin-2-ylamino)ethanol

2-(pyrimidin-2-ylamino)ethanol (PubChem CID 572714) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(pyrimidin-2-ylamino)ethanol
PubChem CID572714
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(pyrimidin-2-ylamino)ethanol
SMILESOCCNc1ncccn1
InChIInChI=1S/C6H9N3O/c10-5-4-9-6-7-2-1-3-8-6/h1-3,10H,4-5H2,(H,7,8,9)
InChIKeyKTMJYEXQVZXYKE-UHFFFAOYSA-N
XLogP-0.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylamino)ethanol?
The IUPAC name of 2-(pyrimidin-2-ylamino)ethanol (CID 572714) is 2-(pyrimidin-2-ylamino)ethanol.
What is the SMILES notation for 2-(pyrimidin-2-ylamino)ethanol?
The canonical SMILES for 2-(pyrimidin-2-ylamino)ethanol is OCCNc1ncccn1.
What is the InChIKey of 2-(pyrimidin-2-ylamino)ethanol?
The InChIKey is KTMJYEXQVZXYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-5-4-9-6-7-2-1-3-8-6/h1-3,10H,4-5H2,(H,7,8,9).
What are the key properties of 2-(pyrimidin-2-ylamino)ethanol?
2-(pyrimidin-2-ylamino)ethanol has a molecular weight of 139.16 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylamino)ethanol is sourced from PubChem (CID 572714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).