2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol

C17H20N4O2 — CID 4895967

IUPAC2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESCOc1ccccc1Nc1ncnc2c1c(C)c(C)n2CCO
InChIInChI=1S/C17H20N4O2/c1-11-12(2)21(8-9-22)17-15(11)16(18-10-19-17)20-13-6-4-5-7-14(13)23-3/h4-7,10,22H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyFEHRRPYYNQCIAR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol

2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol (PubChem CID 4895967) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol
PubChem CID4895967
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESCOc1ccccc1Nc1ncnc2c1c(C)c(C)n2CCO
InChIInChI=1S/C17H20N4O2/c1-11-12(2)21(8-9-22)17-15(11)16(18-10-19-17)20-13-6-4-5-7-14(13)23-3/h4-7,10,22H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyFEHRRPYYNQCIAR-UHFFFAOYSA-N
XLogP2.79
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The IUPAC name of 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol (CID 4895967) is 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The canonical SMILES for 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol is COc1ccccc1Nc1ncnc2c1c(C)c(C)n2CCO.
What is the InChIKey of 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The InChIKey is FEHRRPYYNQCIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-12(2)21(8-9-22)17-15(11)16(18-10-19-17)20-13-6-4-5-7-14(13)23-3/h4-7,10,22H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol has a molecular weight of 312.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 4895967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).