3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione

C16H27N3O3 — CID 3125133

IUPAC3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCCN1CCOCC1
InChIInChI=1S/C16H27N3O3/c1-14-13-15(20)17(2)16(21)19(14)8-6-4-3-5-7-18-9-11-22-12-10-18/h13H,3-12H2,1-2H3
InChIKeyLKFXYFIRIHGHRQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.75
Rot. Bonds7

About 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione

3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione (PubChem CID 3125133) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione
PubChem CID3125133
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCCN1CCOCC1
InChIInChI=1S/C16H27N3O3/c1-14-13-15(20)17(2)16(21)19(14)8-6-4-3-5-7-18-9-11-22-12-10-18/h13H,3-12H2,1-2H3
InChIKeyLKFXYFIRIHGHRQ-UHFFFAOYSA-N
XLogP0.75
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione (CID 3125133) is 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCCCCN1CCOCC1.
What is the InChIKey of 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione?
The InChIKey is LKFXYFIRIHGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-14-13-15(20)17(2)16(21)19(14)8-6-4-3-5-7-18-9-11-22-12-10-18/h13H,3-12H2,1-2H3.
What are the key properties of 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione?
3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione has a molecular weight of 309.41 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3125133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).