4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one

C15H26N2O2 — CID 103240509

IUPAC4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCCCCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H26N2O2/c1-4-5-6-7-8-9-10-19-14-11-13(18)16-15(17-14)12(2)3/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyFJZHOIPQELODDA-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.63
Rot. Bonds9

About 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one

4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240509) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240509
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCCCCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H26N2O2/c1-4-5-6-7-8-9-10-19-14-11-13(18)16-15(17-14)12(2)3/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyFJZHOIPQELODDA-UHFFFAOYSA-N
XLogP3.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240415
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
2-ethyl-4-heptoxy-1H-pyrimidin-6-one
CID 103240426
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
4-(2-butoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240439
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467

Frequently Asked Questions

What is the IUPAC name of 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240509) is 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one is CCCCCCCCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FJZHOIPQELODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-5-6-7-8-9-10-19-14-11-13(18)16-15(17-14)12(2)3/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.38 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).