N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine

C15H19N3O — CID 62047830

IUPACN-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C15H19N3O/c1-10-9-15(18-12(3)16-10)17-11(2)13-5-7-14(19-4)8-6-13/h5-9,11H,1-4H3,(H,16,17,18)
InChIKeyLVHITZBQMDIBGU-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine

N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 62047830) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID62047830
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C15H19N3O/c1-10-9-15(18-12(3)16-10)17-11(2)13-5-7-14(19-4)8-6-13/h5-9,11H,1-4H3,(H,16,17,18)
InChIKeyLVHITZBQMDIBGU-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326911
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119
6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 82453817

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 62047830) is N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine is COc1ccc(C(C)Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is LVHITZBQMDIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-15(18-12(3)16-10)17-11(2)13-5-7-14(19-4)8-6-13/h5-9,11H,1-4H3,(H,16,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62047830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).