2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one

C15H24N2O2 — CID 103240412

IUPAC2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCCCCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-11(2)19-14-10-13(18)16-15(17-14)12-8-9-12/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyCNTANRHKSLHDTN-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.38
Rot. Bonds8

About 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one

2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 103240412) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
PubChem CID103240412
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCCCCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-11(2)19-14-10-13(18)16-15(17-14)12-8-9-12/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyCNTANRHKSLHDTN-UHFFFAOYSA-N
XLogP3.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
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
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
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
2-ethyl-4-hexoxy-1H-pyrimidin-6-one
CID 103240496
4-hexoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one (CID 103240412) is 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one is CCCCCCC(C)Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is CNTANRHKSLHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-6-7-11(2)19-14-10-13(18)16-15(17-14)12-8-9-12/h10-12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).