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

C17H17N3O3 — CID 110429856

IUPACethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)nc2[nH]c(C)cc2c1=O
InChIInChI=1S/C17H17N3O3/c1-3-23-14(21)10-20-16(12-7-5-4-6-8-12)19-15-13(17(20)22)9-11(2)18-15/h4-9,18H,3,10H2,1-2H3
InChIKeyYGVCKNPYLDHLIC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds4

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

ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate (PubChem CID 110429856) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
PubChem CID110429856
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)nc2[nH]c(C)cc2c1=O
InChIInChI=1S/C17H17N3O3/c1-3-23-14(21)10-20-16(12-7-5-4-6-8-12)19-15-13(17(20)22)9-11(2)18-15/h4-9,18H,3,10H2,1-2H3
InChIKeyYGVCKNPYLDHLIC-UHFFFAOYSA-N
XLogP2.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate
CID 139049407
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
CID 14947175
ethyl 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 56633212
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
CID 13180324
3-benzyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429829
ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
CID 67641154
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(5-methyl-2,4-dioxo-6-phenyl-1H-thieno[2,3-d]pyrimidin-3-yl)acetate
CID 10665129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate (CID 110429856) is ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate is CCOC(=O)Cn1c(-c2ccccc2)nc2[nH]c(C)cc2c1=O.
What is the InChIKey of ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate?
The InChIKey is YGVCKNPYLDHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-23-14(21)10-20-16(12-7-5-4-6-8-12)19-15-13(17(20)22)9-11(2)18-15/h4-9,18H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate?
ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate has a molecular weight of 311.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 110429856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).