6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H25N3O3 — CID 47040062

IUPAC6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC(C)N(CCOC)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H25N3O3/c1-6-11(2)17(7-8-20-5)10-12-9-13(18)16(4)14(19)15(12)3/h9,11H,6-8,10H2,1-5H3
InChIKeyHFGPGPNSDTZHIB-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.33
Rot. Bonds7

About 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 47040062) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID47040062
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC(C)N(CCOC)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H25N3O3/c1-6-11(2)17(7-8-20-5)10-12-9-13(18)16(4)14(19)15(12)3/h9,11H,6-8,10H2,1-5H3
InChIKeyHFGPGPNSDTZHIB-UHFFFAOYSA-N
XLogP0.33
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 47040062) is 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCC(C)N(CCOC)Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HFGPGPNSDTZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-6-11(2)17(7-8-20-5)10-12-9-13(18)16(4)14(19)15(12)3/h9,11H,6-8,10H2,1-5H3.
What are the key properties of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 283.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 47040062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).