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

C15H18N2O2 — CID 135483750

IUPAC4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1c(Cc2ccccc2)nc(OC(C)C)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)19-15-16-13(11(3)14(18)17-15)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyPCWWEGIIQCGUCZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

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

4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 135483750) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID135483750
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCc1c(Cc2ccccc2)nc(OC(C)C)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)19-15-16-13(11(3)14(18)17-15)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyPCWWEGIIQCGUCZ-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one (CID 135483750) is 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one is Cc1c(Cc2ccccc2)nc(OC(C)C)[nH]c1=O.
What is the InChIKey of 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is PCWWEGIIQCGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)19-15-16-13(11(3)14(18)17-15)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one?
4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135483750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).