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

C12H19N3O3 — CID 79657438

IUPAC4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CN(C(C)C)CCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-7(2)15-4-5-18-9(6-15)10-13-11(16)8(3)12(17)14-10/h7,9H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyUNJTXZGBGJHRGE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.57
Rot. Bonds2

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

4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79657438) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79657438
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CN(C(C)C)CCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-7(2)15-4-5-18-9(6-15)10-13-11(16)8(3)12(17)14-10/h7,9H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyUNJTXZGBGJHRGE-UHFFFAOYSA-N
XLogP0.57
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79657438) is 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one is Cc1c(O)nc(C2CN(C(C)C)CCO2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UNJTXZGBGJHRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)15-4-5-18-9(6-15)10-13-11(16)8(3)12(17)14-10/h7,9H,4-6H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79657438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).