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

C12H19N3O3 — CID 79077775

IUPAC4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(C)CCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-3-4-8-11(16)13-10(14-12(8)17)9-7-15(2)5-6-18-9/h9H,3-7H2,1-2H3,(H2,13,14,16,17)
InChIKeyVRJUGRYSQKHMEX-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.43
Rot. Bonds3

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

4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 79077775) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID79077775
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(C)CCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-3-4-8-11(16)13-10(14-12(8)17)9-7-15(2)5-6-18-9/h9H,3-7H2,1-2H3,(H2,13,14,16,17)
InChIKeyVRJUGRYSQKHMEX-UHFFFAOYSA-N
XLogP0.43
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one (CID 79077775) is 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CN(C)CCO2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is VRJUGRYSQKHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-8-11(16)13-10(14-12(8)17)9-7-15(2)5-6-18-9/h9H,3-7H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79077775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).