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

C11H16N2O2 — CID 103240853

IUPAC4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N2O2/c1-3-7(2)15-10-6-9(14)12-11(13-10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyXADKOVXHKWGJEY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds4

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

4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103240853) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103240853
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N2O2/c1-3-7(2)15-10-6-9(14)12-11(13-10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyXADKOVXHKWGJEY-UHFFFAOYSA-N
XLogP1.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4-(cyclopropylmethoxy)-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 134559282
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240545
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241786
2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241902
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792801
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792804
2-propan-2-yl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792805
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 103240853) is 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one is CCC(C)Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is XADKOVXHKWGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-7(2)15-10-6-9(14)12-11(13-10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).