6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C19H25N3O2 — CID 56819791

IUPAC6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN(Cc2ccccc2)CC2CCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H25N3O2/c1-20-17(11-18(23)21(2)19(20)24)14-22(13-16-9-6-10-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12-14H2,1-2H3
InChIKeyQCQOAZVJJUEZET-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.89
Rot. Bonds6

About 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 56819791) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID56819791
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN(Cc2ccccc2)CC2CCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H25N3O2/c1-20-17(11-18(23)21(2)19(20)24)14-22(13-16-9-6-10-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12-14H2,1-2H3
InChIKeyQCQOAZVJJUEZET-UHFFFAOYSA-N
XLogP1.89
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[benzyl(cyclobutylmethyl)amino]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

Related Compounds

6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580694
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 40881767
3-[(dibenzylamino)methyl]cyclohexan-1-amine
CID 18447128
1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 106615787
6-[2-[benzyl(methyl)amino]ethylsulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 99839345
(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
CID 70981620
6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 138014765
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
N,N-dibenzyl-1-[4-(3-phenoxypropyl)cyclohexyl]methanamine
CID 58923763
N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine
CID 53342822
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 56819791) is 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN(Cc2ccccc2)CC2CCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QCQOAZVJJUEZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-20-17(11-18(23)21(2)19(20)24)14-22(13-16-9-6-10-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12-14H2,1-2H3.
What are the key properties of 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 327.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 56819791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).