6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O2 — CID 105416845

IUPAC6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)C1(CNCc2cc(=O)n(C)c(=O)n2C)CCC1
InChIInChI=1S/C14H24N4O2/c1-16(2)14(6-5-7-14)10-15-9-11-8-12(19)18(4)13(20)17(11)3/h8,15H,5-7,9-10H2,1-4H3
InChIKeyCNXNJOWTCDUCOI-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.34
Rot. Bonds5

About 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 105416845) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID105416845
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)C1(CNCc2cc(=O)n(C)c(=O)n2C)CCC1
InChIInChI=1S/C14H24N4O2/c1-16(2)14(6-5-7-14)10-15-9-11-8-12(19)18(4)13(20)17(11)3/h8,15H,5-7,9-10H2,1-4H3
InChIKeyCNXNJOWTCDUCOI-UHFFFAOYSA-N
XLogP-0.34
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 105416845) is 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN(C)C1(CNCc2cc(=O)n(C)c(=O)n2C)CCC1.
What is the InChIKey of 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CNXNJOWTCDUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16(2)14(6-5-7-14)10-15-9-11-8-12(19)18(4)13(20)17(11)3/h8,15H,5-7,9-10H2,1-4H3.
What are the key properties of 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 105416845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).