3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

C14H25N5O2 — CID 106933814

IUPAC3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCN1CCN(CCn2ccc(=O)n(CCCN)c2=O)CC1
InChIInChI=1S/C14H25N5O2/c1-16-7-9-17(10-8-16)11-12-18-6-3-13(20)19(14(18)21)5-2-4-15/h3,6H,2,4-5,7-12,15H2,1H3
InChIKeyDDSRJIZRAHODTR-UHFFFAOYSA-N
MW295.39 g/mol
LogP-1.39
Rot. Bonds6

About 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 106933814) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID106933814
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCN1CCN(CCn2ccc(=O)n(CCCN)c2=O)CC1
InChIInChI=1S/C14H25N5O2/c1-16-7-9-17(10-8-16)11-12-18-6-3-13(20)19(14(18)21)5-2-4-15/h3,6H,2,4-5,7-12,15H2,1H3
InChIKeyDDSRJIZRAHODTR-UHFFFAOYSA-N
XLogP-1.39
TPSA76.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]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

Related Compounds

1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891914
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one
CID 116624664
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 106933888

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (CID 106933814) is 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is CN1CCN(CCn2ccc(=O)n(CCCN)c2=O)CC1.
What is the InChIKey of 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is DDSRJIZRAHODTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-16-7-9-17(10-8-16)11-12-18-6-3-13(20)19(14(18)21)5-2-4-15/h3,6H,2,4-5,7-12,15H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 295.39 g/mol, XLogP of -1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).