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

C16H26N4 — CID 107817677

IUPAC7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCC(CC)Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C16H26N4/c1-5-7-8-13(6-2)9-20-12(4)11(3)14-15(17)18-10-19-16(14)20/h10,13H,5-9H2,1-4H3,(H2,17,18,19)
InChIKeyBEGMCUQGNYIRQW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.85
Rot. Bonds6

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

7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 107817677) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID107817677
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCC(CC)Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C16H26N4/c1-5-7-8-13(6-2)9-20-12(4)11(3)14-15(17)18-10-19-16(14)20/h10,13H,5-9H2,1-4H3,(H2,17,18,19)
InChIKeyBEGMCUQGNYIRQW-UHFFFAOYSA-N
XLogP3.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817678
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 102700019
5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115326743
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
5,6-dimethyl-7-(4,4,4-trifluorobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115521663
3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 107816967
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82730631
5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114701586
N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
CID 43546324
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 107817677) is 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is CCCCC(CC)Cn1c(C)c(C)c2c(N)ncnc21.
What is the InChIKey of 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BEGMCUQGNYIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-7-8-13(6-2)9-20-12(4)11(3)14-15(17)18-10-19-16(14)20/h10,13H,5-9H2,1-4H3,(H2,17,18,19).
What are the key properties of 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107817677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).