4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine

C13H15N3O — CID 39834396

IUPAC4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine
SMILESCCc1ccccc1-c1cc(OC)nc(N)n1
InChIInChI=1S/C13H15N3O/c1-3-9-6-4-5-7-10(9)11-8-12(17-2)16-13(14)15-11/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyNMBFYDJLTHYUGZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds3

About 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine

4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine (PubChem CID 39834396) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine
PubChem CID39834396
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine
SMILESCCc1ccccc1-c1cc(OC)nc(N)n1
InChIInChI=1S/C13H15N3O/c1-3-9-6-4-5-7-10(9)11-8-12(17-2)16-13(14)15-11/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyNMBFYDJLTHYUGZ-UHFFFAOYSA-N
XLogP2.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine (CID 39834396) is 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine is CCc1ccccc1-c1cc(OC)nc(N)n1.
What is the InChIKey of 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine?
The InChIKey is NMBFYDJLTHYUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-9-6-4-5-7-10(9)11-8-12(17-2)16-13(14)15-11/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine?
4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 39834396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).