4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine

C14H12Br2N4 — CID 16750668

IUPAC4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(N)n2)c2c(Br)ccc(Br)c21
InChIInChI=1S/C14H12Br2N4/c1-2-20-7-8(11-5-6-18-14(17)19-11)12-9(15)3-4-10(16)13(12)20/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyMSXXCMOLTOFPMK-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.23
Rot. Bonds2

About 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine

4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine (PubChem CID 16750668) has the molecular formula C14H12Br2N4 and a molecular weight of 396.09 g/mol. Its IUPAC name is 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine
PubChem CID16750668
Molecular FormulaC14H12Br2N4
Molecular Weight396.09 g/mol
Exact Mass393.94
IUPAC Name4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(N)n2)c2c(Br)ccc(Br)c21
InChIInChI=1S/C14H12Br2N4/c1-2-20-7-8(11-5-6-18-14(17)19-11)12-9(15)3-4-10(16)13(12)20/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyMSXXCMOLTOFPMK-UHFFFAOYSA-N
XLogP4.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine (CID 16750668) is 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine is CCn1cc(-c2ccnc(N)n2)c2c(Br)ccc(Br)c21.
What is the InChIKey of 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine?
The InChIKey is MSXXCMOLTOFPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N4/c1-2-20-7-8(11-5-6-18-14(17)19-11)12-9(15)3-4-10(16)13(12)20/h3-7H,2H2,1H3,(H2,17,18,19).
What are the key properties of 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine?
4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine has a molecular weight of 396.09 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 16750668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).