2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine

C14H17N3O — CID 55045308

IUPAC2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1
InChIInChI=1S/C14H17N3O/c1-4-18-12-7-5-11(6-8-12)14-16-10(3)9(2)13(15)17-14/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyZINTXNIUPDQUOB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine

2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 55045308) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID55045308
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1
InChIInChI=1S/C14H17N3O/c1-4-18-12-7-5-11(6-8-12)14-16-10(3)9(2)13(15)17-14/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyZINTXNIUPDQUOB-UHFFFAOYSA-N
XLogP2.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80975228
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 82135118
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822998
3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
CID 172602798
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine (CID 55045308) is 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine is CCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is ZINTXNIUPDQUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-18-12-7-5-11(6-8-12)14-16-10(3)9(2)13(15)17-14/h5-8H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine?
2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55045308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).