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

C17H17N3 — CID 80936663

IUPAC2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-3-16-19-15(11-17(18-2)20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyIIHIIVOMFTZRSZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.90
Rot. Bonds3

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

2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 80936663) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
PubChem CID80936663
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-3-16-19-15(11-17(18-2)20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyIIHIIVOMFTZRSZ-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine
CID 81222064
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80935966
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine (CID 80936663) is 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine is CCc1nc(NC)cc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is IIHIIVOMFTZRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-16-19-15(11-17(18-2)20-16)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-ylpyrimidin-4-amine?
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80936663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).