5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide

C9H17BrN4O2 — CID 54610690

IUPAC5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide
SMILESBr.CN(C)CCNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2.BrH/c1-13(2)4-3-10-5-7-6-11-9(15)12-8(7)14;/h6,10H,3-5H2,1-2H3,(H2,11,12,14,15);1H
InChIKeyQSJJEDACGHMDDY-UHFFFAOYSA-N
MW293.17 g/mol
LogP-0.71
Rot. Bonds5

About 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide

5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide (PubChem CID 54610690) has the molecular formula C9H17BrN4O2 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide
PubChem CID54610690
Molecular FormulaC9H17BrN4O2
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide
SMILESBr.CN(C)CCNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O2.BrH/c1-13(2)4-3-10-5-7-6-11-9(15)12-8(7)14;/h6,10H,3-5H2,1-2H3,(H2,11,12,14,15);1H
InChIKeyQSJJEDACGHMDDY-UHFFFAOYSA-N
XLogP-0.71
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide?
The IUPAC name of 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide (CID 54610690) is 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide.
What is the SMILES notation for 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide?
The canonical SMILES for 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide is Br.CN(C)CCNCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide?
The InChIKey is QSJJEDACGHMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2.BrH/c1-13(2)4-3-10-5-7-6-11-9(15)12-8(7)14;/h6,10H,3-5H2,1-2H3,(H2,11,12,14,15);1H.
What are the key properties of 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide?
5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide has a molecular weight of 293.17 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide is sourced from PubChem (CID 54610690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).