5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine

C15H15BrN6 — CID 77106291

IUPAC5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2ncc3ccccc32)nc(NCC2CC2)c1Br
InChIInChI=1S/C15H15BrN6/c16-12-13(17)20-15(21-14(12)18-7-9-5-6-9)22-11-4-2-1-3-10(11)8-19-22/h1-4,8-9H,5-7H2,(H3,17,18,20,21)
InChIKeyOFWOOSRVYJIHGB-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.98
Rot. Bonds4

About 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine

5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine (PubChem CID 77106291) has the molecular formula C15H15BrN6 and a molecular weight of 359.23 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine
PubChem CID77106291
Molecular FormulaC15H15BrN6
Molecular Weight359.23 g/mol
Exact Mass358.05
IUPAC Name5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2ncc3ccccc32)nc(NCC2CC2)c1Br
InChIInChI=1S/C15H15BrN6/c16-12-13(17)20-15(21-14(12)18-7-9-5-6-9)22-11-4-2-1-3-10(11)8-19-22/h1-4,8-9H,5-7H2,(H3,17,18,20,21)
InChIKeyOFWOOSRVYJIHGB-UHFFFAOYSA-N
XLogP2.98
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine 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 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine (CID 77106291) is 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine is Nc1nc(-n2ncc3ccccc32)nc(NCC2CC2)c1Br.
What is the InChIKey of 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine?
The InChIKey is OFWOOSRVYJIHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6/c16-12-13(17)20-15(21-14(12)18-7-9-5-6-9)22-11-4-2-1-3-10(11)8-19-22/h1-4,8-9H,5-7H2,(H3,17,18,20,21).
What are the key properties of 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine?
5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine has a molecular weight of 359.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(cyclopropylmethyl)-2-indazol-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 77106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).