2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C17H23N3 — CID 62745786

IUPAC2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCc1ccc(-c2nc(C)c(C(C)CN)c(C)n2)cc1
InChIInChI=1S/C17H23N3/c1-5-14-6-8-15(9-7-14)17-19-12(3)16(11(2)10-18)13(4)20-17/h6-9,11H,5,10,18H2,1-4H3
InChIKeyJOUJMIHWVVHUFF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds4

About 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 62745786) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID62745786
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCc1ccc(-c2nc(C)c(C(C)CN)c(C)n2)cc1
InChIInChI=1S/C17H23N3/c1-5-14-6-8-15(9-7-14)17-19-12(3)16(11(2)10-18)13(4)20-17/h6-9,11H,5,10,18H2,1-4H3
InChIKeyJOUJMIHWVVHUFF-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 62745786) is 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is CCc1ccc(-c2nc(C)c(C(C)CN)c(C)n2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is JOUJMIHWVVHUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-14-6-8-15(9-7-14)17-19-12(3)16(11(2)10-18)13(4)20-17/h6-9,11H,5,10,18H2,1-4H3.
What are the key properties of 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 62745786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).