4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine

C12H8Br2N4 — CID 10044516

IUPAC4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3cc(Br)c(Br)cc23)n1
InChIInChI=1S/C12H8Br2N4/c13-8-3-6-7(5-17-11(6)4-9(8)14)10-1-2-16-12(15)18-10/h1-5,17H,(H2,15,16,18)
InChIKeyBYGIRSJUNICQIC-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.73
Rot. Bonds1

About 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine

4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 10044516) has the molecular formula C12H8Br2N4 and a molecular weight of 368.03 g/mol. Its IUPAC name is 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID10044516
Molecular FormulaC12H8Br2N4
Molecular Weight368.03 g/mol
Exact Mass365.91
IUPAC Name4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3cc(Br)c(Br)cc23)n1
InChIInChI=1S/C12H8Br2N4/c13-8-3-6-7(5-17-11(6)4-9(8)14)10-1-2-16-12(15)18-10/h1-5,17H,(H2,15,16,18)
InChIKeyBYGIRSJUNICQIC-UHFFFAOYSA-N
XLogP3.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine (CID 10044516) is 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3cc(Br)c(Br)cc23)n1.
What is the InChIKey of 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is BYGIRSJUNICQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4/c13-8-3-6-7(5-17-11(6)4-9(8)14)10-1-2-16-12(15)18-10/h1-5,17H,(H2,15,16,18).
What are the key properties of 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine?
4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 368.03 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 10044516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).