4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine

C15H19N3O — CID 50980776

IUPAC4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2cccc(C(C)OC)c2)n1
InChIInChI=1S/C15H19N3O/c1-10-8-14(18-15(16-3)17-10)13-7-5-6-12(9-13)11(2)19-4/h5-9,11H,1-4H3,(H,16,17,18)
InChIKeyQSJVVOJLPGYRAF-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.20
Rot. Bonds4

About 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine

4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 50980776) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID50980776
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2cccc(C(C)OC)c2)n1
InChIInChI=1S/C15H19N3O/c1-10-8-14(18-15(16-3)17-10)13-7-5-6-12(9-13)11(2)19-4/h5-9,11H,1-4H3,(H,16,17,18)
InChIKeyQSJVVOJLPGYRAF-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 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine (CID 50980776) is 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(-c2cccc(C(C)OC)c2)n1.
What is the InChIKey of 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is QSJVVOJLPGYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-14(18-15(16-3)17-10)13-7-5-6-12(9-13)11(2)19-4/h5-9,11H,1-4H3,(H,16,17,18).
What are the key properties of 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine?
4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-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 4-[3-(1-methoxyethyl)phenyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 50980776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).