6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione

C12H20N4O3 — CID 15993495

IUPAC6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCNCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-4-5-6-14-7-8(17)9-10(13)15(2)12(19)16(3)11(9)18/h14H,4-7,13H2,1-3H3
InChIKeyRHKALUMGEKECGM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.76
Rot. Bonds6

About 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 15993495) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID15993495
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCNCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-4-5-6-14-7-8(17)9-10(13)15(2)12(19)16(3)11(9)18/h14H,4-7,13H2,1-3H3
InChIKeyRHKALUMGEKECGM-UHFFFAOYSA-N
XLogP-0.76
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 15993495) is 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione is CCCCNCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RHKALUMGEKECGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-5-6-14-7-8(17)9-10(13)15(2)12(19)16(3)11(9)18/h14H,4-7,13H2,1-3H3.
What are the key properties of 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 15993495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).