5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride

C10H19ClN4O2 — CID 54611414

IUPAC5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(C)CCCNCc1c[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-14(2)5-3-4-11-6-8-7-12-10(16)13-9(8)15;/h7,11H,3-6H2,1-2H3,(H2,12,13,15,16);1H
InChIKeyCXBYNNSIMJKUBT-UHFFFAOYSA-N
MW262.74 g/mol
LogP-0.47
Rot. Bonds6

About 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride

5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 54611414) has the molecular formula C10H19ClN4O2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID54611414
Molecular FormulaC10H19ClN4O2
Molecular Weight262.74 g/mol
Exact Mass262.12
IUPAC Name5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(C)CCCNCc1c[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-14(2)5-3-4-11-6-8-7-12-10(16)13-9(8)15;/h7,11H,3-6H2,1-2H3,(H2,12,13,15,16);1H
InChIKeyCXBYNNSIMJKUBT-UHFFFAOYSA-N
XLogP-0.47
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 5-0.47
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-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 54611414) is 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride is CN(C)CCCNCc1c[nH]c(=O)[nH]c1=O.Cl.
What is the InChIKey of 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is CXBYNNSIMJKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2.ClH/c1-14(2)5-3-4-11-6-8-7-12-10(16)13-9(8)15;/h7,11H,3-6H2,1-2H3,(H2,12,13,15,16);1H.
What are the key properties of 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)propylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 54611414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).