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

C19H14ClN3O3 — CID 162540345

IUPAC7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc3c(=O)[nH]c(=O)[nH]c3n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClN3O3/c1-26-14-8-2-11(3-9-14)16-10-15-17(21-19(25)22-18(15)24)23(16)13-6-4-12(20)5-7-13/h2-10H,1H3,(H2,21,22,24,25)
InChIKeyKIISCPCPWUGYGM-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.34
Rot. Bonds3

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

7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 162540345) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID162540345
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc3c(=O)[nH]c(=O)[nH]c3n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClN3O3/c1-26-14-8-2-11(3-9-14)16-10-15-17(21-19(25)22-18(15)24)23(16)13-6-4-12(20)5-7-13/h2-10H,1H3,(H2,21,22,24,25)
InChIKeyKIISCPCPWUGYGM-UHFFFAOYSA-N
XLogP3.34
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 162540345) is 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2cc3c(=O)[nH]c(=O)[nH]c3n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KIISCPCPWUGYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c1-26-14-8-2-11(3-9-14)16-10-15-17(21-19(25)22-18(15)24)23(16)13-6-4-12(20)5-7-13/h2-10H,1H3,(H2,21,22,24,25).
What are the key properties of 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 367.79 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 162540345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).