2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

C14H23N3O3 — CID 79374903

IUPAC2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNC(C)C1CCCO1
InChIInChI=1S/C14H23N3O3/c1-10-9-13(18)17(14(16-10)19-3)7-6-15-11(2)12-5-4-8-20-12/h9,11-12,15H,4-8H2,1-3H3
InChIKeyZBSKNTGNEYQYHS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.72
Rot. Bonds6

About 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (PubChem CID 79374903) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
PubChem CID79374903
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNC(C)C1CCCO1
InChIInChI=1S/C14H23N3O3/c1-10-9-13(18)17(14(16-10)19-3)7-6-15-11(2)12-5-4-8-20-12/h9,11-12,15H,4-8H2,1-3H3
InChIKeyZBSKNTGNEYQYHS-UHFFFAOYSA-N
XLogP0.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-4-propylpyrimidin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 45535024
1,3-Dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 43664967
2-(4-methyl-6-oxopyrimidin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 45534882
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 45535189
2,6-Dimethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 55235685
2,6-Dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 55235686
6-Methyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 62563259
6-Methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 62564459
6-Methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
CID 62567530
2-[[1-(Oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62668967
3-[2-[1-(Oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 63795972
5-Iodo-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 66308865

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (CID 79374903) is 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCNC(C)C1CCCO1.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The InChIKey is ZBSKNTGNEYQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-9-13(18)17(14(16-10)19-3)7-6-15-11(2)12-5-4-8-20-12/h9,11-12,15H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one has a molecular weight of 281.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 79374903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).