5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine

C16H21N3O — CID 106681496

IUPAC5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1c(C)cc(C)cc1OC
InChIInChI=1S/C16H21N3O/c1-6-12-15(18-9-19-16(12)17-4)14-11(3)7-10(2)8-13(14)20-5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyKGEODBCODKVJAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds4

About 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine

5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 106681496) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
PubChem CID106681496
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1c(C)cc(C)cc1OC
InChIInChI=1S/C16H21N3O/c1-6-12-15(18-9-19-16(12)17-4)14-11(3)7-10(2)8-13(14)20-5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyKGEODBCODKVJAD-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-propyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 115503443
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 106681515
3-(2-methoxy-4,6-dimethylphenyl)-N,5,6-trimethylpyrazin-2-amine
CID 106681508
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 82478111
N,5-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 113324602
5-methoxy-6-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-amine
CID 106681516
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine
CID 106681436
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine (CID 106681496) is 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1-c1c(C)cc(C)cc1OC.
What is the InChIKey of 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is KGEODBCODKVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-12-15(18-9-19-16(12)17-4)14-11(3)7-10(2)8-13(14)20-5/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine?
5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106681496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).