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

C13H20N2O3 — CID 80691793

IUPAC4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2(C)CCCCO2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)9-10(16)14-12(15-11(9)17)13(3)6-4-5-7-18-13/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyUZZQWSNGRBNCNE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.01
Rot. Bonds2

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

4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 80691793) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID80691793
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2(C)CCCCO2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)9-10(16)14-12(15-11(9)17)13(3)6-4-5-7-18-13/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyUZZQWSNGRBNCNE-UHFFFAOYSA-N
XLogP2.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 80691793) is 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2(C)CCCCO2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UZZQWSNGRBNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)9-10(16)14-12(15-11(9)17)13(3)6-4-5-7-18-13/h8H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 80691793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).