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

C8H13N3O2 — CID 94830500

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol
SMILESCOc1cc(C)nc(NCCO)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(13-2)11-8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyYRCBEIXTWXFCOS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.20
Rot. Bonds4

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

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol (PubChem CID 94830500) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol
PubChem CID94830500
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol
SMILESCOc1cc(C)nc(NCCO)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(13-2)11-8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyYRCBEIXTWXFCOS-UHFFFAOYSA-N
XLogP0.20
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol (CID 94830500) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol is COc1cc(C)nc(NCCO)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol?
The InChIKey is YRCBEIXTWXFCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(13-2)11-8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol?
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol has a molecular weight of 183.21 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 94830500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).