2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine

C13H9Cl2N3 — CID 164900032

IUPAC2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine
SMILESCn1c(-c2ccccc2)cc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C13H9Cl2N3/c1-18-10(8-5-3-2-4-6-8)7-9-11(14)16-13(15)17-12(9)18/h2-7H,1H3
InChIKeyKFIODGPSKGYNRH-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.94
Rot. Bonds1

About 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine

2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 164900032) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID164900032
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine
SMILESCn1c(-c2ccccc2)cc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C13H9Cl2N3/c1-18-10(8-5-3-2-4-6-8)7-9-11(14)16-13(15)17-12(9)18/h2-7H,1H3
InChIKeyKFIODGPSKGYNRH-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine (CID 164900032) is 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine is Cn1c(-c2ccccc2)cc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is KFIODGPSKGYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-18-10(8-5-3-2-4-6-8)7-9-11(14)16-13(15)17-12(9)18/h2-7H,1H3.
What are the key properties of 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 278.14 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 164900032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).