5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C12H21N3O2 — CID 4737455

IUPAC5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCN(CCC)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-4-6-15(7-5-2)8-10-9(3)13-12(17)14-11(10)16/h4-8H2,1-3H3,(H2,13,14,16,17)
InChIKeyRXBIZKPJULQKQF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.99
Rot. Bonds6

About 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 4737455) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID4737455
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCN(CCC)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-4-6-15(7-5-2)8-10-9(3)13-12(17)14-11(10)16/h4-8H2,1-3H3,(H2,13,14,16,17)
InChIKeyRXBIZKPJULQKQF-UHFFFAOYSA-N
XLogP0.99
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione 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 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 4737455) is 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione is CCCN(CCC)Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RXBIZKPJULQKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-15(7-5-2)8-10-9(3)13-12(17)14-11(10)16/h4-8H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4737455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).