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

C10H16N2O2 — CID 63611951

IUPAC4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-5(2)7-9(13)11-8(6(3)4)12-10(7)14/h5-6H,1-4H3,(H2,11,12,13,14)
InChIKeyKTAMZRINUZZCOM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds2

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

4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one (PubChem CID 63611951) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one
PubChem CID63611951
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-5(2)7-9(13)11-8(6(3)4)12-10(7)14/h5-6H,1-4H3,(H2,11,12,13,14)
InChIKeyKTAMZRINUZZCOM-UHFFFAOYSA-N
XLogP1.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.72
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-di(propan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one (CID 63611951) is 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one is CC(C)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KTAMZRINUZZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5(2)7-9(13)11-8(6(3)4)12-10(7)14/h5-6H,1-4H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63611951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).