2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine

C16H21N3O — CID 74230990

IUPAC2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine
SMILESCCOC(C)c1ccc(-c2nccc(N(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-5-20-12(2)13-6-8-14(9-7-13)16-17-11-10-15(18-16)19(3)4/h6-12H,5H2,1-4H3
InChIKeyYGHYGKQGEQGZHU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.31
Rot. Bonds5

About 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine

2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 74230990) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine
PubChem CID74230990
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine
SMILESCCOC(C)c1ccc(-c2nccc(N(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-5-20-12(2)13-6-8-14(9-7-13)16-17-11-10-15(18-16)19(3)4/h6-12H,5H2,1-4H3
InChIKeyYGHYGKQGEQGZHU-UHFFFAOYSA-N
XLogP3.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine (CID 74230990) is 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine is CCOC(C)c1ccc(-c2nccc(N(C)C)n2)cc1.
What is the InChIKey of 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is YGHYGKQGEQGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-20-12(2)13-6-8-14(9-7-13)16-17-11-10-15(18-16)19(3)4/h6-12H,5H2,1-4H3.
What are the key properties of 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 74230990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).