4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one

C14H24N2O — CID 20647010

IUPAC4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C14H24N2O/c1-8(2)10-11(9(3)4)15-13(17)16-12(10)14(5,6)7/h8-9H,1-7H3,(H,15,16,17)
InChIKeyINCKHYPYLYXOGM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.31
Rot. Bonds2

About 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one

4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one (PubChem CID 20647010) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one
PubChem CID20647010
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C14H24N2O/c1-8(2)10-11(9(3)4)15-13(17)16-12(10)14(5,6)7/h8-9H,1-7H3,(H,15,16,17)
InChIKeyINCKHYPYLYXOGM-UHFFFAOYSA-N
XLogP3.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one (CID 20647010) is 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one is CC(C)c1[nH]c(=O)nc(C(C)(C)C)c1C(C)C.
What is the InChIKey of 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one?
The InChIKey is INCKHYPYLYXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-8(2)10-11(9(3)4)15-13(17)16-12(10)14(5,6)7/h8-9H,1-7H3,(H,15,16,17).
What are the key properties of 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one?
4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,6-di(propan-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 20647010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).