2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine

C17H17N3O — CID 80938850

IUPAC2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3O/c1-3-15-19-16(18-2)11-17(20-15)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyYQZKDRZJNWFOMK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.03
Rot. Bonds4

About 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine

2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine (PubChem CID 80938850) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
PubChem CID80938850
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3O/c1-3-15-19-16(18-2)11-17(20-15)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyYQZKDRZJNWFOMK-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80938865
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80941455
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine (CID 80938850) is 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine is CCc1nc(NC)cc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine?
The InChIKey is YQZKDRZJNWFOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-15-19-16(18-2)11-17(20-15)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine?
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine is sourced from PubChem (CID 80938850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).