2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine

C15H19N3O — CID 62202263

IUPAC2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCCOc1ccccc1-c1nc(C)c(C)c(NC)n1
InChIInChI=1S/C15H19N3O/c1-5-19-13-9-7-6-8-12(13)15-17-11(3)10(2)14(16-4)18-15/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyHKGKVXQOZZLMGW-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine

2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 62202263) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID62202263
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCCOc1ccccc1-c1nc(C)c(C)c(NC)n1
InChIInChI=1S/C15H19N3O/c1-5-19-13-9-7-6-8-12(13)15-17-11(3)10(2)14(16-4)18-15/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyHKGKVXQOZZLMGW-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine (CID 62202263) is 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine is CCOc1ccccc1-c1nc(C)c(C)c(NC)n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is HKGKVXQOZZLMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-19-13-9-7-6-8-12(13)15-17-11(3)10(2)14(16-4)18-15/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 62202263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).