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

C18H33N3O2 — CID 51056355

IUPAC6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H33N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-16-15-17(22)21(3)18(23)20(16)2/h15,19H,4-14H2,1-3H3
InChIKeyPPONSLQKKMGYKB-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.42
Rot. Bonds12

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

6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 51056355) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID51056355
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H33N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-16-15-17(22)21(3)18(23)20(16)2/h15,19H,4-14H2,1-3H3
InChIKeyPPONSLQKKMGYKB-UHFFFAOYSA-N
XLogP3.42
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.42
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-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 51056355) is 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione is CCCCCCCCCCCCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PPONSLQKKMGYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-16-15-17(22)21(3)18(23)20(16)2/h15,19H,4-14H2,1-3H3.
What are the key properties of 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione?
6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 323.48 g/mol, XLogP of 3.42, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dodecylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 51056355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).