4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one

C16H20N2O2 — CID 135483758

IUPAC4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCCc1c(Cc2ccccc2)nc(OC(C)C)[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-4-13-14(10-12-8-6-5-7-9-12)17-16(18-15(13)19)20-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyVPZPHORXPMXGQG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds5

About 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one

4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 135483758) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID135483758
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCCc1c(Cc2ccccc2)nc(OC(C)C)[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-4-13-14(10-12-8-6-5-7-9-12)17-16(18-15(13)19)20-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyVPZPHORXPMXGQG-UHFFFAOYSA-N
XLogP2.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one (CID 135483758) is 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one is CCc1c(Cc2ccccc2)nc(OC(C)C)[nH]c1=O.
What is the InChIKey of 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is VPZPHORXPMXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-13-14(10-12-8-6-5-7-9-12)17-16(18-15(13)19)20-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135483758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).