4-ethyl-6-methoxy-5-methylpyrimidin-2-amine

C8H13N3O — CID 13300946

IUPAC4-ethyl-6-methoxy-5-methylpyrimidin-2-amine
SMILESCCc1nc(N)nc(OC)c1C
InChIInChI=1S/C8H13N3O/c1-4-6-5(2)7(12-3)11-8(9)10-6/h4H2,1-3H3,(H2,9,10,11)
InChIKeyZZHSZBVGPLHJBW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.94
Rot. Bonds2

About 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine

4-ethyl-6-methoxy-5-methylpyrimidin-2-amine (PubChem CID 13300946) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-methoxy-5-methylpyrimidin-2-amine
PubChem CID13300946
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-ethyl-6-methoxy-5-methylpyrimidin-2-amine
SMILESCCc1nc(N)nc(OC)c1C
InChIInChI=1S/C8H13N3O/c1-4-6-5(2)7(12-3)11-8(9)10-6/h4H2,1-3H3,(H2,9,10,11)
InChIKeyZZHSZBVGPLHJBW-UHFFFAOYSA-N
XLogP0.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine (CID 13300946) is 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine is CCc1nc(N)nc(OC)c1C.
What is the InChIKey of 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine?
The InChIKey is ZZHSZBVGPLHJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-6-5(2)7(12-3)11-8(9)10-6/h4H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine?
4-ethyl-6-methoxy-5-methylpyrimidin-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-5-methylpyrimidin-2-amine is sourced from PubChem (CID 13300946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).