4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C8H8BrN5O — CID 169213123

IUPAC4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c(Br)c(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C8H8BrN5O/c1-14-5(9)3(7(11)15)4-6(10)12-2-13-8(4)14/h2H,1H3,(H2,11,15)(H2,10,12,13)
InChIKeyITAOXUBFTRKSCB-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.41
Rot. Bonds1

About 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 169213123) has the molecular formula C8H8BrN5O and a molecular weight of 270.09 g/mol. Its IUPAC name is 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID169213123
Molecular FormulaC8H8BrN5O
Molecular Weight270.09 g/mol
Exact Mass268.99
IUPAC Name4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c(Br)c(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C8H8BrN5O/c1-14-5(9)3(7(11)15)4-6(10)12-2-13-8(4)14/h2H,1H3,(H2,11,15)(H2,10,12,13)
InChIKeyITAOXUBFTRKSCB-UHFFFAOYSA-N
XLogP0.41
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 169213123) is 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is Cn1c(Br)c(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ITAOXUBFTRKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O/c1-14-5(9)3(7(11)15)4-6(10)12-2-13-8(4)14/h2H,1H3,(H2,11,15)(H2,10,12,13).
What are the key properties of 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 270.09 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 169213123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).