5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H19N3O2 — CID 28610980

IUPAC5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-8-9(11(16)15(2)12(14)17)7-13-10-5-3-4-6-10/h8,10,13H,3-7H2,1-2H3
InChIKeyQTUWCUJTJLCTLB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.12
Rot. Bonds3

About 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28610980) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28610980
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-8-9(11(16)15(2)12(14)17)7-13-10-5-3-4-6-10/h8,10,13H,3-7H2,1-2H3
InChIKeyQTUWCUJTJLCTLB-UHFFFAOYSA-N
XLogP0.12
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-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-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28610980) is 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QTUWCUJTJLCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-8-9(11(16)15(2)12(14)17)7-13-10-5-3-4-6-10/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28610980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).