7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C17H28N4 — CID 107817678

IUPAC7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCC(CC)Cn1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C17H28N4/c1-6-8-9-14(7-2)10-21-12(4)11(3)15-16(18)19-13(5)20-17(15)21/h14H,6-10H2,1-5H3,(H2,18,19,20)
InChIKeyLPJHBMZPFZLSPJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds6

About 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 107817678) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID107817678
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCC(CC)Cn1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C17H28N4/c1-6-8-9-14(7-2)10-21-12(4)11(3)15-16(18)19-13(5)20-17(15)21/h14H,6-10H2,1-5H3,(H2,18,19,20)
InChIKeyLPJHBMZPFZLSPJ-UHFFFAOYSA-N
XLogP4.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817677
7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337019
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981
ethyl 5-amino-1-(2-ethylhexyl)-2-methylimidazole-4-carboxylate
CID 107817909
3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 107816967
7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 106038847
2,5,6-trimethyl-7-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62991699
2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 106420804
2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114957254
6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107816990
2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 63823912
5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one
CID 71153804

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 107817678) is 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is CCCCC(CC)Cn1c(C)c(C)c2c(N)nc(C)nc21.
What is the InChIKey of 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LPJHBMZPFZLSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-8-9-14(7-2)10-21-12(4)11(3)15-16(18)19-13(5)20-17(15)21/h14H,6-10H2,1-5H3,(H2,18,19,20).
What are the key properties of 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107817678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).