6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione

C15H17N3O2 — CID 75460034

IUPAC6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN(Cc2ccccc2)C2CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,8,13H,6-7,9-10H2,(H2,16,17,19,20)
InChIKeyUGZSQQYPGDCIGU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds5

About 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione

6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 75460034) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID75460034
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN(Cc2ccccc2)C2CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,8,13H,6-7,9-10H2,(H2,16,17,19,20)
InChIKeyUGZSQQYPGDCIGU-UHFFFAOYSA-N
XLogP1.23
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[benzyl(cyclopropyl)amino]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 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione (CID 75460034) is 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CN(Cc2ccccc2)C2CC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UGZSQQYPGDCIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,8,13H,6-7,9-10H2,(H2,16,17,19,20).
What are the key properties of 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione?
6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 271.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(cyclopropyl)amino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 75460034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).