4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one

C7H10N2O2 — CID 676463

IUPAC4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-4(2)7-8-5(10)3-6(11)9-7/h3-4H,1-2H3,(H2,8,9,10,11)
InChIKeyDOZKGELCYBIBBZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.60
Rot. Bonds1

About 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 676463) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID676463
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-4(2)7-8-5(10)3-6(11)9-7/h3-4H,1-2H3,(H2,8,9,10,11)
InChIKeyDOZKGELCYBIBBZ-UHFFFAOYSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 676463) is 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DOZKGELCYBIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)7-8-5(10)3-6(11)9-7/h3-4H,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 676463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).