[4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate

C16H15N3O3 — CID 175152126

IUPAC[4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate
SMILESCOc1ccccc1-c1nc(C)nc2[nH]cc(OC(C)=O)c12
InChIInChI=1S/C16H15N3O3/c1-9-18-15(11-6-4-5-7-12(11)21-3)14-13(22-10(2)20)8-17-16(14)19-9/h4-8H,1-3H3,(H,17,18,19)
InChIKeyPFYRMZXUKKQYBO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.87
Rot. Bonds3

About [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate

[4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate (PubChem CID 175152126) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate
PubChem CID175152126
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name[4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate
SMILESCOc1ccccc1-c1nc(C)nc2[nH]cc(OC(C)=O)c12
InChIInChI=1S/C16H15N3O3/c1-9-18-15(11-6-4-5-7-12(11)21-3)14-13(22-10(2)20)8-17-16(14)19-9/h4-8H,1-3H3,(H,17,18,19)
InChIKeyPFYRMZXUKKQYBO-UHFFFAOYSA-N
XLogP2.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-chlorophenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate
CID 175148237
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130
methyl 2-(2-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 10922361
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
methyl (E)-3-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]but-2-enoate
CID 110447202
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate?
The IUPAC name of [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate (CID 175152126) is [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate.
What is the SMILES notation for [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate?
The canonical SMILES for [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate is COc1ccccc1-c1nc(C)nc2[nH]cc(OC(C)=O)c12.
What is the InChIKey of [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate?
The InChIKey is PFYRMZXUKKQYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9-18-15(11-6-4-5-7-12(11)21-3)14-13(22-10(2)20)8-17-16(14)19-9/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate?
[4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate has a molecular weight of 297.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate is sourced from PubChem (CID 175152126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).