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

C10H16N2O2 — CID 103240860

IUPAC4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC(C)CC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-7(3)14-10-6-9(13)11-8(5-2)12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyUASHLJWMCANBGM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds4

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

4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103240860) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID103240860
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC(C)CC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-7(3)14-10-6-9(13)11-8(5-2)12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyUASHLJWMCANBGM-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114586487
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537
4-(cyclopropylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240776
2-ethyl-4-(pent-4-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136977106
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114578659
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one (CID 103240860) is 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OC(C)CC)cc(=O)[nH]1.
What is the InChIKey of 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is UASHLJWMCANBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-7(3)14-10-6-9(13)11-8(5-2)12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one?
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).