5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C7H7BrN4 — CID 66560938

IUPAC5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1cc(Br)c2c(N)ncnc21
InChIInChI=1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)
InChIKeySCHJLAFNBDGWJN-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.31
Rot. Bonds

About 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 66560938) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID66560938
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1cc(Br)c2c(N)ncnc21
InChIInChI=1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)
InChIKeySCHJLAFNBDGWJN-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 66560938) is 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1cc(Br)c2c(N)ncnc21.
What is the InChIKey of 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SCHJLAFNBDGWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 227.06 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66560938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).