5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C15H15N3O3 — CID 127029211

IUPAC5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c[nH]c3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C15H15N3O3/c1-17-13-12(14(19)18(2)15(17)20)11(8-16-13)9-4-6-10(21-3)7-5-9/h4-8,16H,1-3H3
InChIKeyNMZRPRBYZKSTHH-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.24
Rot. Bonds2

About 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 127029211) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID127029211
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c[nH]c3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C15H15N3O3/c1-17-13-12(14(19)18(2)15(17)20)11(8-16-13)9-4-6-10(21-3)7-5-9/h4-8,16H,1-3H3
InChIKeyNMZRPRBYZKSTHH-UHFFFAOYSA-N
XLogP1.24
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 127029211) is 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2c[nH]c3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NMZRPRBYZKSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-13-12(14(19)18(2)15(17)20)11(8-16-13)9-4-6-10(21-3)7-5-9/h4-8,16H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 127029211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).