6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine

C17H23N3O — CID 66326077

IUPAC6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC(C)c2ccc(CC)cc2)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-5-14-7-9-15(10-8-14)12(3)18-16-11-17(21-6-2)20-13(4)19-16/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyBPAFGOYOVOCKBK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds6

About 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine

6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 66326077) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID66326077
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC(C)c2ccc(CC)cc2)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-5-14-7-9-15(10-8-14)12(3)18-16-11-17(21-6-2)20-13(4)19-16/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyBPAFGOYOVOCKBK-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 66326077) is 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine is CCOc1cc(NC(C)c2ccc(CC)cc2)nc(C)n1.
What is the InChIKey of 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is BPAFGOYOVOCKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-14-7-9-15(10-8-14)12(3)18-16-11-17(21-6-2)20-13(4)19-16/h7-12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).