5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

C13H21N3O3 — CID 136822015

IUPAC5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)(C)OC(C)(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-12(2)6-16(7-13(3,4)19-12)10-9(18-5)11(17)15-8-14-10/h8H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyILVXLEIITHZYSK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.17
Rot. Bonds2

About 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136822015) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136822015
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)(C)OC(C)(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-12(2)6-16(7-13(3,4)19-12)10-9(18-5)11(17)15-8-14-10/h8H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyILVXLEIITHZYSK-UHFFFAOYSA-N
XLogP1.17
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136752208
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783269
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792833
5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792834

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136822015) is 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is COc1c(N2CC(C)(C)OC(C)(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is ILVXLEIITHZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-12(2)6-16(7-13(3,4)19-12)10-9(18-5)11(17)15-8-14-10/h8H,6-7H2,1-5H3,(H,14,15,17).
What are the key properties of 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136822015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).