6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione

C10H17N3O2 — CID 2262624

IUPAC6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H17N3O2/c1-4-5-6-11-8-7-9(14)13(3)10(15)12(8)2/h7,11H,4-6H2,1-3H3
InChIKeyFVVDHTAGKNRSPB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.30
Rot. Bonds4

About 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione

6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2262624) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2262624
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H17N3O2/c1-4-5-6-11-8-7-9(14)13(3)10(15)12(8)2/h7,11H,4-6H2,1-3H3
InChIKeyFVVDHTAGKNRSPB-UHFFFAOYSA-N
XLogP0.30
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(butylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 2262624) is 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione is CCCCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FVVDHTAGKNRSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-6-11-8-7-9(14)13(3)10(15)12(8)2/h7,11H,4-6H2,1-3H3.
What are the key properties of 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione?
6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2262624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).