4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one

C14H24N2O2 — CID 143732743

IUPAC4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(C)c1nc(O)c(C(C)(C)CC)c(=O)[nH]1
InChIInChI=1S/C14H24N2O2/c1-7-13(3,4)9-10(17)15-12(16-11(9)18)14(5,6)8-2/h7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyJDSQNRGPPJUWRS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.85
Rot. Bonds4

About 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one

4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 143732743) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one
PubChem CID143732743
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(C)c1nc(O)c(C(C)(C)CC)c(=O)[nH]1
InChIInChI=1S/C14H24N2O2/c1-7-13(3,4)9-10(17)15-12(16-11(9)18)14(5,6)8-2/h7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyJDSQNRGPPJUWRS-UHFFFAOYSA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one (CID 143732743) is 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one is CCC(C)(C)c1nc(O)c(C(C)(C)CC)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is JDSQNRGPPJUWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-7-13(3,4)9-10(17)15-12(16-11(9)18)14(5,6)8-2/h7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 143732743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).