5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione

C13H19BrN4O2 — CID 71469426

IUPAC5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/C2=N/CCCCCC2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-17-11(10(14)12(19)18(2)13(17)20)16-9-7-5-3-4-6-8-15-9/h3-8H2,1-2H3,(H,15,16)
InChIKeyBGQPPWZWDGILJU-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.62
Rot. Bonds1

About 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione

5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 71469426) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID71469426
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/C2=N/CCCCCC2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-17-11(10(14)12(19)18(2)13(17)20)16-9-7-5-3-4-6-8-15-9/h3-8H2,1-2H3,(H,15,16)
InChIKeyBGQPPWZWDGILJU-UHFFFAOYSA-N
XLogP1.62
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-bromo-1,3-dimethyl-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
CID 17551001
6-(2,3,4,5,6,7-Hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 71469425
5-bromo-6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 102591547
5-bromo-1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
CID 102591549

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 71469426) is 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N/C2=N/CCCCCC2)c(Br)c(=O)n(C)c1=O.
What is the InChIKey of 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BGQPPWZWDGILJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-17-11(10(14)12(19)18(2)13(17)20)16-9-7-5-3-4-6-8-15-9/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione?
5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 343.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,3,4,5,6,7-hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 71469426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).