4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine

C13H11BrN4O — CID 58221450

IUPAC4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine
SMILESCOc1cc(Br)cc2c1ccn2-c1ccnc(N)n1
InChIInChI=1S/C13H11BrN4O/c1-19-11-7-8(14)6-10-9(11)3-5-18(10)12-2-4-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
InChIKeyVVNODLABJBPFKE-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.77
Rot. Bonds2

About 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine

4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine (PubChem CID 58221450) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine
PubChem CID58221450
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine
SMILESCOc1cc(Br)cc2c1ccn2-c1ccnc(N)n1
InChIInChI=1S/C13H11BrN4O/c1-19-11-7-8(14)6-10-9(11)3-5-18(10)12-2-4-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
InChIKeyVVNODLABJBPFKE-UHFFFAOYSA-N
XLogP2.77
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine (CID 58221450) is 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine is COc1cc(Br)cc2c1ccn2-c1ccnc(N)n1.
What is the InChIKey of 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine?
The InChIKey is VVNODLABJBPFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-19-11-7-8(14)6-10-9(11)3-5-18(10)12-2-4-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine?
4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine has a molecular weight of 319.16 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-4-methoxyindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 58221450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).