4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one

C12H18N2O3 — CID 63611789

IUPAC4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-2-3-9-11(15)13-10(14-12(9)16)8-4-6-17-7-5-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyXEWFQZCHYAFFNH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.32
Rot. Bonds3

About 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63611789) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63611789
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-2-3-9-11(15)13-10(14-12(9)16)8-4-6-17-7-5-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyXEWFQZCHYAFFNH-UHFFFAOYSA-N
XLogP1.32
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one (CID 63611789) is 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is XEWFQZCHYAFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-3-9-11(15)13-10(14-12(9)16)8-4-6-17-7-5-8/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).