2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate

C22H20N4O2 — CID 164518732

IUPAC2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate
SMILESCC(=O)OCCc1cc2c(Nc3ccccc3)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C22H20N4O2/c1-15(27)28-13-12-18-14-19-21(23-17-10-6-3-7-11-17)25-20(26-22(19)24-18)16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H2,23,24,25,26)
InChIKeyNQUYOFVQAOVNRV-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.47
Rot. Bonds6

About 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate

2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate (PubChem CID 164518732) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate
PubChem CID164518732
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate
SMILESCC(=O)OCCc1cc2c(Nc3ccccc3)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C22H20N4O2/c1-15(27)28-13-12-18-14-19-21(23-17-10-6-3-7-11-17)25-20(26-22(19)24-18)16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H2,23,24,25,26)
InChIKeyNQUYOFVQAOVNRV-UHFFFAOYSA-N
XLogP4.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate with MolForge

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Related Compounds

3-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid
CID 71056150
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
N-[2-[[6-[(3-methylphenoxy)methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128368
N-[2-[[6-[(3-methoxyphenoxy)methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10151235
N-[2-[[2-phenyl-6-(pyridin-3-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128485
4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 70932286
4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 68569057
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate?
The IUPAC name of 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate (CID 164518732) is 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate.
What is the SMILES notation for 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate?
The canonical SMILES for 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate is CC(=O)OCCc1cc2c(Nc3ccccc3)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate?
The InChIKey is NQUYOFVQAOVNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)28-13-12-18-14-19-21(23-17-10-6-3-7-11-17)25-20(26-22(19)24-18)16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H2,23,24,25,26).
What are the key properties of 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate?
2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate has a molecular weight of 372.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate is sourced from PubChem (CID 164518732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).