5-dodecan-6-yl-2,4-dimethoxypyrimidine

C18H32N2O2 — CID 134572301

IUPAC5-dodecan-6-yl-2,4-dimethoxypyrimidine
SMILESCCCCCCC(CCCCC)c1cnc(OC)nc1OC
InChIInChI=1S/C18H32N2O2/c1-5-7-9-11-13-15(12-10-8-6-2)16-14-19-18(22-4)20-17(16)21-3/h14-15H,5-13H2,1-4H3
InChIKeyHJNUOQGGTFJYEP-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.13
Rot. Bonds12

About 5-dodecan-6-yl-2,4-dimethoxypyrimidine

5-dodecan-6-yl-2,4-dimethoxypyrimidine (PubChem CID 134572301) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5-dodecan-6-yl-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-dodecan-6-yl-2,4-dimethoxypyrimidine
PubChem CID134572301
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name5-dodecan-6-yl-2,4-dimethoxypyrimidine
SMILESCCCCCCC(CCCCC)c1cnc(OC)nc1OC
InChIInChI=1S/C18H32N2O2/c1-5-7-9-11-13-15(12-10-8-6-2)16-14-19-18(22-4)20-17(16)21-3/h14-15H,5-13H2,1-4H3
InChIKeyHJNUOQGGTFJYEP-UHFFFAOYSA-N
XLogP5.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-dodecan-6-yl-2,4-dimethoxypyrimidine?
The IUPAC name of 5-dodecan-6-yl-2,4-dimethoxypyrimidine (CID 134572301) is 5-dodecan-6-yl-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-dodecan-6-yl-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-dodecan-6-yl-2,4-dimethoxypyrimidine is CCCCCCC(CCCCC)c1cnc(OC)nc1OC.
What is the InChIKey of 5-dodecan-6-yl-2,4-dimethoxypyrimidine?
The InChIKey is HJNUOQGGTFJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-5-7-9-11-13-15(12-10-8-6-2)16-14-19-18(22-4)20-17(16)21-3/h14-15H,5-13H2,1-4H3.
What are the key properties of 5-dodecan-6-yl-2,4-dimethoxypyrimidine?
5-dodecan-6-yl-2,4-dimethoxypyrimidine has a molecular weight of 308.47 g/mol, XLogP of 5.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecan-6-yl-2,4-dimethoxypyrimidine is sourced from PubChem (CID 134572301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).