4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine

C19H17N3O3 — CID 52949959

IUPAC4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)nc(OC)nc32)cc1
InChIInChI=1S/C19H17N3O3/c1-23-14-7-5-13(6-8-14)12-22-10-9-15-17(16-4-3-11-25-16)20-19(24-2)21-18(15)22/h3-11H,12H2,1-2H3
InChIKeyKWJWEZIFEVZIAF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.76
Rot. Bonds5

About 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine

4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 52949959) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
PubChem CID52949959
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)nc(OC)nc32)cc1
InChIInChI=1S/C19H17N3O3/c1-23-14-7-5-13(6-8-14)12-22-10-9-15-17(16-4-3-11-25-16)20-19(24-2)21-18(15)22/h3-11H,12H2,1-2H3
InChIKeyKWJWEZIFEVZIAF-UHFFFAOYSA-N
XLogP3.76
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine (CID 52949959) is 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine is COc1ccc(Cn2ccc3c(-c4ccco4)nc(OC)nc32)cc1.
What is the InChIKey of 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is KWJWEZIFEVZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-23-14-7-5-13(6-8-14)12-22-10-9-15-17(16-4-3-11-25-16)20-19(24-2)21-18(15)22/h3-11H,12H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 335.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methoxy-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 52949959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).