2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol

C9H15N3O — CID 61225312

IUPAC2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol
SMILESCCN(CCO)c1cc(C)ncn1
InChIInChI=1S/C9H15N3O/c1-3-12(4-5-13)9-6-8(2)10-7-11-9/h6-7,13H,3-5H2,1-2H3
InChIKeyNKXBGZKABFDEAI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds4

About 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol

2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 61225312) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol
PubChem CID61225312
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol
SMILESCCN(CCO)c1cc(C)ncn1
InChIInChI=1S/C9H15N3O/c1-3-12(4-5-13)9-6-8(2)10-7-11-9/h6-7,13H,3-5H2,1-2H3
InChIKeyNKXBGZKABFDEAI-UHFFFAOYSA-N
XLogP0.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol (CID 61225312) is 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol is CCN(CCO)c1cc(C)ncn1.
What is the InChIKey of 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is NKXBGZKABFDEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-12(4-5-13)9-6-8(2)10-7-11-9/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol?
2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 61225312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).