4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine

C13H10ClN3O — CID 86084758

IUPAC4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(-c2cc3ncnc(Cl)c3[nH]2)cc1
InChIInChI=1S/C13H10ClN3O/c1-18-9-4-2-8(3-5-9)10-6-11-12(17-10)13(14)16-7-15-11/h2-7,17H,1H3
InChIKeyXOYMHZMQAQUILX-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine

4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 86084758) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID86084758
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(-c2cc3ncnc(Cl)c3[nH]2)cc1
InChIInChI=1S/C13H10ClN3O/c1-18-9-4-2-8(3-5-9)10-6-11-12(17-10)13(14)16-7-15-11/h2-7,17H,1H3
InChIKeyXOYMHZMQAQUILX-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine (CID 86084758) is 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine is COc1ccc(-c2cc3ncnc(Cl)c3[nH]2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is XOYMHZMQAQUILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-18-9-4-2-8(3-5-9)10-6-11-12(17-10)13(14)16-7-15-11/h2-7,17H,1H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 259.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 86084758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).