5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

C8H8IN3 — CID 10659823

IUPAC5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(I)c[nH]c2n1
InChIInChI=1S/C8H8IN3/c1-4-7-6(9)3-10-8(7)12-5(2)11-4/h3H,1-2H3,(H,10,11,12)
InChIKeyKYNZFTIXGQFOTH-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.18
Rot. Bonds

About 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 10659823) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID10659823
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(I)c[nH]c2n1
InChIInChI=1S/C8H8IN3/c1-4-7-6(9)3-10-8(7)12-5(2)11-4/h3H,1-2H3,(H,10,11,12)
InChIKeyKYNZFTIXGQFOTH-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (CID 10659823) is 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1nc(C)c2c(I)c[nH]c2n1.
What is the InChIKey of 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is KYNZFTIXGQFOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-4-7-6(9)3-10-8(7)12-5(2)11-4/h3H,1-2H3,(H,10,11,12).
What are the key properties of 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 273.08 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 10659823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).