5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C8H10N2O2 — CID 66641237

IUPAC5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(C2CC2)c(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-4-9-7(11)6(5-2-3-5)8(12)10-4/h5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyIJAWVBBDCKQHKA-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.66
Rot. Bonds1

About 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 66641237) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID66641237
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(C2CC2)c(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-4-9-7(11)6(5-2-3-5)8(12)10-4/h5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyIJAWVBBDCKQHKA-UHFFFAOYSA-N
XLogP0.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 66641237) is 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(C2CC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IJAWVBBDCKQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-9-7(11)6(5-2-3-5)8(12)10-4/h5H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 66641237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).