5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine

C13H13BrN6 — CID 77106290

IUPAC5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(-n2ncc3ccccc32)nc(N)c1Br
InChIInChI=1S/C13H13BrN6/c1-2-16-12-10(14)11(15)18-13(19-12)20-9-6-4-3-5-8(9)7-17-20/h3-7H,2H2,1H3,(H3,15,16,18,19)
InChIKeyVRQWKQRCPAKJKB-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine

5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine (PubChem CID 77106290) has the molecular formula C13H13BrN6 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine
PubChem CID77106290
Molecular FormulaC13H13BrN6
Molecular Weight333.19 g/mol
Exact Mass332.04
IUPAC Name5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(-n2ncc3ccccc32)nc(N)c1Br
InChIInChI=1S/C13H13BrN6/c1-2-16-12-10(14)11(15)18-13(19-12)20-9-6-4-3-5-8(9)7-17-20/h3-7H,2H2,1H3,(H3,15,16,18,19)
InChIKeyVRQWKQRCPAKJKB-UHFFFAOYSA-N
XLogP2.59
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine (CID 77106290) is 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine is CCNc1nc(-n2ncc3ccccc32)nc(N)c1Br.
What is the InChIKey of 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine?
The InChIKey is VRQWKQRCPAKJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6/c1-2-16-12-10(14)11(15)18-13(19-12)20-9-6-4-3-5-8(9)7-17-20/h3-7H,2H2,1H3,(H3,15,16,18,19).
What are the key properties of 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine?
5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine has a molecular weight of 333.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 77106290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).