5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H21N3O3 — CID 62733720

IUPAC5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCC(C)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O3/c1-9(5-6-18-4)13-7-10-8-14(2)12(17)15(3)11(10)16/h8-9,13H,5-7H2,1-4H3
InChIKeyIAHLIUNPDULYGE-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.40
Rot. Bonds6

About 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 62733720) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID62733720
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCC(C)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O3/c1-9(5-6-18-4)13-7-10-8-14(2)12(17)15(3)11(10)16/h8-9,13H,5-7H2,1-4H3
InChIKeyIAHLIUNPDULYGE-UHFFFAOYSA-N
XLogP-0.40
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 62733720) is 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is COCCC(C)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IAHLIUNPDULYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(5-6-18-4)13-7-10-8-14(2)12(17)15(3)11(10)16/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 255.32 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 62733720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).