6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride

C13H23ClN4O2 — CID 54603641

IUPAC6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride
SMILESC=C(C)Cn1c(N)c(NCCCC)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-5-6-7-15-10-11(14)17(8-9(2)3)13(19)16(4)12(10)18;/h15H,2,5-8,14H2,1,3-4H3;1H
InChIKeyGDAMXYNAKCDIGV-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.34
Rot. Bonds6

About 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride

6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride (PubChem CID 54603641) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride
PubChem CID54603641
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride
SMILESC=C(C)Cn1c(N)c(NCCCC)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-5-6-7-15-10-11(14)17(8-9(2)3)13(19)16(4)12(10)18;/h15H,2,5-8,14H2,1,3-4H3;1H
InChIKeyGDAMXYNAKCDIGV-UHFFFAOYSA-N
XLogP1.34
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride (CID 54603641) is 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride is C=C(C)Cn1c(N)c(NCCCC)c(=O)n(C)c1=O.Cl.
What is the InChIKey of 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride?
The InChIKey is GDAMXYNAKCDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-5-6-7-15-10-11(14)17(8-9(2)3)13(19)16(4)12(10)18;/h15H,2,5-8,14H2,1,3-4H3;1H.
What are the key properties of 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride?
6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 54603641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).