1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione

C12H17N3O2 — CID 165046710

IUPAC1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILESCC1=Cc2c(c(=O)n(C)c(=O)n2CCCN)C1
InChIInChI=1S/C12H17N3O2/c1-8-6-9-10(7-8)15(5-3-4-13)12(17)14(2)11(9)16/h7H,3-6,13H2,1-2H3
InChIKeyPVGKBBLJYUPSKK-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.14
Rot. Bonds3

About 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione

1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione (PubChem CID 165046710) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione
PubChem CID165046710
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILESCC1=Cc2c(c(=O)n(C)c(=O)n2CCCN)C1
InChIInChI=1S/C12H17N3O2/c1-8-6-9-10(7-8)15(5-3-4-13)12(17)14(2)11(9)16/h7H,3-6,13H2,1-2H3
InChIKeyPVGKBBLJYUPSKK-UHFFFAOYSA-N
XLogP-0.14
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]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

7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
1-(3-aminopropyl)-3-methyl-7H-purine-2,6-dione
CID 57349183
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
7-(4-aminobutyl)-3-(2-methoxyethyl)-1,8-dimethylpurine-2,6-dione
CID 82465968
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
1-[3-[3-(2-aminoethyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604418
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849
7-(3-aminopropyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 20846594
6-(4-aminobutyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione;hydrochloride
CID 2826363
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione (CID 165046710) is 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione is CC1=Cc2c(c(=O)n(C)c(=O)n2CCCN)C1.
What is the InChIKey of 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is PVGKBBLJYUPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-9-10(7-8)15(5-3-4-13)12(17)14(2)11(9)16/h7H,3-6,13H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione?
1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 235.29 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,6-dimethyl-5H-cyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 165046710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).