4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine

C11H8BrN5 — CID 170898403

IUPAC4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2n[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C11H8BrN5/c12-6-1-2-8-7(5-6)10(17-16-8)9-3-4-14-11(13)15-9/h1-5H,(H,16,17)(H2,13,14,15)
InChIKeyIIBVJPAJHWMTTO-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.36
Rot. Bonds1

About 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine

4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine (PubChem CID 170898403) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
PubChem CID170898403
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2n[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C11H8BrN5/c12-6-1-2-8-7(5-6)10(17-16-8)9-3-4-14-11(13)15-9/h1-5H,(H,16,17)(H2,13,14,15)
InChIKeyIIBVJPAJHWMTTO-UHFFFAOYSA-N
XLogP2.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-1H-indol-3-yl)-5-chloropyrimidin-2-amine;4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine;methane
CID 159505569
4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024291
4-[3-bromo-5-(1H-indol-4-yl)phenyl]pyrimidin-2-amine
CID 25114879
4-(1H-indazol-5-yl)pyrimidin-2-amine
CID 54420708
5-bromo-1H-indazole-3-carboxylate
CID 7157357
4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
CID 53426314
4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 135997586
4-[5-bromo-2-(4-isocyanophenyl)-1H-indol-3-yl]pyrimidin-2-amine;5-bromo-2-(4-isocyanophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-indole
CID 159752422
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255
5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole
CID 168728035
[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
CID 59024180

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine (CID 170898403) is 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine is Nc1nccc(-c2n[nH]c3ccc(Br)cc23)n1.
What is the InChIKey of 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine?
The InChIKey is IIBVJPAJHWMTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-6-1-2-8-7(5-6)10(17-16-8)9-3-4-14-11(13)15-9/h1-5H,(H,16,17)(H2,13,14,15).
What are the key properties of 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine?
4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine has a molecular weight of 290.12 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 170898403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).