6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine

C14H17N3O — CID 80874565

IUPAC6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCCc1ccccc1Oc1cc(NC)nc(C)n1
InChIInChI=1S/C14H17N3O/c1-4-11-7-5-6-8-12(11)18-14-9-13(15-3)16-10(2)17-14/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyOITDBZSZROUMIK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.18
Rot. Bonds4

About 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine

6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80874565) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
PubChem CID80874565
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCCc1ccccc1Oc1cc(NC)nc(C)n1
InChIInChI=1S/C14H17N3O/c1-4-11-7-5-6-8-12(11)18-14-9-13(15-3)16-10(2)17-14/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyOITDBZSZROUMIK-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80863011
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
CID 80875842
1-[2-(6-ethoxy-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485522
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566390
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
[2-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80962451
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine (CID 80874565) is 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine is CCc1ccccc1Oc1cc(NC)nc(C)n1.
What is the InChIKey of 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is OITDBZSZROUMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-11-7-5-6-8-12(11)18-14-9-13(15-3)16-10(2)17-14/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine?
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80874565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).