6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

C12H13BrN4 — CID 16718383

IUPAC6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2c[nH]c3ccc(Br)cc23)N1
InChIInChI=1S/C12H13BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-2,5-6,11,16H,3-4H2,(H3,14,15,17)
InChIKeyVVONRGQMZKFFRP-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.28
Rot. Bonds1

About 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 16718383) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID16718383
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2c[nH]c3ccc(Br)cc23)N1
InChIInChI=1S/C12H13BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-2,5-6,11,16H,3-4H2,(H3,14,15,17)
InChIKeyVVONRGQMZKFFRP-UHFFFAOYSA-N
XLogP2.28
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 16718383) is 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2c[nH]c3ccc(Br)cc23)N1.
What is the InChIKey of 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is VVONRGQMZKFFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-2,5-6,11,16H,3-4H2,(H3,14,15,17).
What are the key properties of 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 293.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 16718383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).