methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

C15H13N3O3 — CID 135493225

IUPACmethyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1c(C)c2c(=O)[nH]cnc2n1-c1ccccc1
InChIInChI=1S/C15H13N3O3/c1-9-11-13(16-8-17-14(11)19)18(12(9)15(20)21-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17,19)
InChIKeyPLANYFLRXRNIAP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.81
Rot. Bonds2

About methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 135493225) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID135493225
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1c(C)c2c(=O)[nH]cnc2n1-c1ccccc1
InChIInChI=1S/C15H13N3O3/c1-9-11-13(16-8-17-14(11)19)18(12(9)15(20)21-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17,19)
InChIKeyPLANYFLRXRNIAP-UHFFFAOYSA-N
XLogP1.81
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 135493225) is methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1c(C)c2c(=O)[nH]cnc2n1-c1ccccc1.
What is the InChIKey of methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PLANYFLRXRNIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-11-13(16-8-17-14(11)19)18(12(9)15(20)21-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 135493225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).