ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

C19H15N3O2 — CID 71599159

IUPACethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2ncnc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C19H15N3O2/c1-2-24-19(23)15-10-20-18-16(15)17(21-11-22-18)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyOEXWALMSGRIUHV-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.95
Rot. Bonds3

About ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 71599159) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
PubChem CID71599159
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Nameethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2ncnc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C19H15N3O2/c1-2-24-19(23)15-10-20-18-16(15)17(21-11-22-18)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyOEXWALMSGRIUHV-UHFFFAOYSA-N
XLogP3.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CID 71599159) is ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c[nH]c2ncnc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is OEXWALMSGRIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-24-19(23)15-10-20-18-16(15)17(21-11-22-18)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,2H2,1H3,(H,20,21,22).
What are the key properties of ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-naphthalen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 71599159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).