2-tert-butyl-5-ethyl-1H-pyrimidin-6-one

C10H16N2O — CID 24903858

IUPAC2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-5-7-6-11-9(10(2,3)4)12-8(7)13/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyNMPJFQHKZUQHBQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds1

About 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one

2-tert-butyl-5-ethyl-1H-pyrimidin-6-one (PubChem CID 24903858) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
PubChem CID24903858
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-5-7-6-11-9(10(2,3)4)12-8(7)13/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyNMPJFQHKZUQHBQ-UHFFFAOYSA-N
XLogP1.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one (CID 24903858) is 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is NMPJFQHKZUQHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7-6-11-9(10(2,3)4)12-8(7)13/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one?
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 24903858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).