2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine

C15H19N3O — CID 116892641

IUPAC2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)cc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-11-10-14(18-15(17-11)8-9-16-2)12-4-6-13(19-3)7-5-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyMIKKMHKLHRKJSQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine

2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine (PubChem CID 116892641) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
PubChem CID116892641
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)cc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-11-10-14(18-15(17-11)8-9-16-2)12-4-6-13(19-3)7-5-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyMIKKMHKLHRKJSQ-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 116892926
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892653
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
CID 116893816
N-methyl-1-(4-methyl-6-naphthalen-2-ylpyrimidin-2-yl)methanamine
CID 116892458
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine (CID 116892641) is 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine is CNCCc1nc(C)cc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The InChIKey is MIKKMHKLHRKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-10-14(18-15(17-11)8-9-16-2)12-4-6-13(19-3)7-5-12/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116892641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).