2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one

C15H24N2O2 — CID 103240461

IUPAC2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
SMILESCCCCC(CC)COc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H24N2O2/c1-3-5-6-11(4-2)10-19-14-9-13(18)16-15(17-14)12-7-8-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyXQMFCMGINQBMGD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds8

About 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one (PubChem CID 103240461) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
PubChem CID103240461
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
SMILESCCCCC(CC)COc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H24N2O2/c1-3-5-6-11(4-2)10-19-14-9-13(18)16-15(17-14)12-7-8-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyXQMFCMGINQBMGD-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
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-cyclopropyl-1H-pyrimidin-6-one
CID 103240432
2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240441
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-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one (CID 103240461) is 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one is CCCCC(CC)COc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
The InChIKey is XQMFCMGINQBMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-6-11(4-2)10-19-14-9-13(18)16-15(17-14)12-7-8-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).