6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O2 — CID 51074719

IUPAC6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCCCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O2/c1-15-12(10-13(18)16(2)14(15)19)11-17-8-6-4-3-5-7-9-17/h10H,3-9,11H2,1-2H3
InChIKeyUDXWFIKKNYKAEJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.85
Rot. Bonds2

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

6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 51074719) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID51074719
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCCCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O2/c1-15-12(10-13(18)16(2)14(15)19)11-17-8-6-4-3-5-7-9-17/h10H,3-9,11H2,1-2H3
InChIKeyUDXWFIKKNYKAEJ-UHFFFAOYSA-N
XLogP0.85
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 51074719) is 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCCCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UDXWFIKKNYKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-12(10-13(18)16(2)14(15)19)11-17-8-6-4-3-5-7-9-17/h10H,3-9,11H2,1-2H3.
What are the key properties of 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 51074719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).