1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol

C9H15N3O2 — CID 82657900

IUPAC1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cnc(C)nc1OC
InChIInChI=1S/C9H15N3O2/c1-6-11-4-7(8(13)5-10-2)9(12-6)14-3/h4,8,10,13H,5H2,1-3H3
InChIKeyBBYUGJJUEXCNKL-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.05
Rot. Bonds4

About 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol

1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol (PubChem CID 82657900) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol
PubChem CID82657900
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cnc(C)nc1OC
InChIInChI=1S/C9H15N3O2/c1-6-11-4-7(8(13)5-10-2)9(12-6)14-3/h4,8,10,13H,5H2,1-3H3
InChIKeyBBYUGJJUEXCNKL-UHFFFAOYSA-N
XLogP0.05
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol (CID 82657900) is 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol is CNCC(O)c1cnc(C)nc1OC.
What is the InChIKey of 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol?
The InChIKey is BBYUGJJUEXCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-11-4-7(8(13)5-10-2)9(12-6)14-3/h4,8,10,13H,5H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol?
1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol has a molecular weight of 197.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylpyrimidin-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 82657900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).