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

C13H21N3O3 — CID 102610386

IUPAC5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOC1CC(NCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H21N3O3/c1-4-19-11-5-10(6-11)14-7-9-8-15(2)13(18)16(3)12(9)17/h8,10-11,14H,4-7H2,1-3H3
InChIKeyBGRXROKZXFHFOV-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.26
Rot. Bonds5

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

5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 102610386) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID102610386
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOC1CC(NCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H21N3O3/c1-4-19-11-5-10(6-11)14-7-9-8-15(2)13(18)16(3)12(9)17/h8,10-11,14H,4-7H2,1-3H3
InChIKeyBGRXROKZXFHFOV-UHFFFAOYSA-N
XLogP-0.26
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[[(2-propylcyclopropyl)amino]methyl]pyrimidine-2,4-dione
CID 103711534
1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
CID 103887824
1,3-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione;hydrochloride
CID 154767022
5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115563750
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126564
2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 114118777
5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 79831786
3-ethoxy-N-[(5-nitrothiophen-2-yl)methyl]cyclobutan-1-amine
CID 102610271
2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
CID 114118855

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 102610386) is 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCOC1CC(NCc2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BGRXROKZXFHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-11-5-10(6-11)14-7-9-8-15(2)13(18)16(3)12(9)17/h8,10-11,14H,4-7H2,1-3H3.
What are the key properties of 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 102610386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).