2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine

C7H5Cl2N3 — CID 25230953

IUPAC2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3
InChIKeyWIROGLUDZOMAPT-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.28
Rot. Bonds

About 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine

2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 25230953) has the molecular formula C7H5Cl2N3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID25230953
Molecular FormulaC7H5Cl2N3
Molecular Weight202.04 g/mol
Exact Mass200.99
IUPAC Name2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3
InChIKeyWIROGLUDZOMAPT-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.28
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-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine (CID 25230953) is 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine is Cn1ccc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is WIROGLUDZOMAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3.
What are the key properties of 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 202.04 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 25230953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).