6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C20H16ClN3O3 — CID 16766878

IUPAC6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)cc1
InChIInChI=1S/C20H16ClN3O3/c1-24-18-16(19(25)23-20(24)26)15(11-5-9-14(27-2)10-6-11)17(22-18)12-3-7-13(21)8-4-12/h3-10,22H,1-2H3,(H,23,25,26)
InChIKeyPSLRSUQFWOOBFQ-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.55
Rot. Bonds3

About 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 16766878) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID16766878
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)cc1
InChIInChI=1S/C20H16ClN3O3/c1-24-18-16(19(25)23-20(24)26)15(11-5-9-14(27-2)10-6-11)17(22-18)12-3-7-13(21)8-4-12/h3-10,22H,1-2H3,(H,23,25,26)
InChIKeyPSLRSUQFWOOBFQ-UHFFFAOYSA-N
XLogP3.55
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 16766878) is 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PSLRSUQFWOOBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-24-18-16(19(25)23-20(24)26)15(11-5-9-14(27-2)10-6-11)17(22-18)12-3-7-13(21)8-4-12/h3-10,22H,1-2H3,(H,23,25,26).
What are the key properties of 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 381.82 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16766878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).