ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate

C18H18N2O2 — CID 2763889

IUPACethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cn2c(C)cc(C)nc12
InChIInChI=1S/C18H18N2O2/c1-4-22-18(21)16-15(14-8-6-5-7-9-14)11-20-13(3)10-12(2)19-17(16)20/h5-11H,4H2,1-3H3
InChIKeyAROQIPUWZFGQRH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.79
Rot. Bonds3

About ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate

ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate (PubChem CID 2763889) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate
PubChem CID2763889
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cn2c(C)cc(C)nc12
InChIInChI=1S/C18H18N2O2/c1-4-22-18(21)16-15(14-8-6-5-7-9-14)11-20-13(3)10-12(2)19-17(16)20/h5-11H,4H2,1-3H3
InChIKeyAROQIPUWZFGQRH-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate (CID 2763889) is ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate is CCOC(=O)c1c(-c2ccccc2)cn2c(C)cc(C)nc12.
What is the InChIKey of ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate?
The InChIKey is AROQIPUWZFGQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-22-18(21)16-15(14-8-6-5-7-9-14)11-20-13(3)10-12(2)19-17(16)20/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate?
ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-7-phenylpyrrolo[1,2-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 2763889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).