2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol

C11H17N3O — CID 595455

IUPAC2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol
SMILESC=CCc1c(C)nc(C)nc1NCCO
InChIInChI=1S/C11H17N3O/c1-4-5-10-8(2)13-9(3)14-11(10)12-6-7-15/h4,15H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyXLUBGKFCQBYKCD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds5

About 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol

2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol (PubChem CID 595455) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol
PubChem CID595455
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol
SMILESC=CCc1c(C)nc(C)nc1NCCO
InChIInChI=1S/C11H17N3O/c1-4-5-10-8(2)13-9(3)14-11(10)12-6-7-15/h4,15H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyXLUBGKFCQBYKCD-UHFFFAOYSA-N
XLogP1.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol (CID 595455) is 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol is C=CCc1c(C)nc(C)nc1NCCO.
What is the InChIKey of 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol?
The InChIKey is XLUBGKFCQBYKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-5-10-8(2)13-9(3)14-11(10)12-6-7-15/h4,15H,1,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol?
2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol has a molecular weight of 207.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 595455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).