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

C14H23N3O2 — CID 55235686

IUPAC2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C2CCCO2)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-10-9-14(18)17(12(3)16-10)7-6-15-11(2)13-5-4-8-19-13/h9,11,13,15H,4-8H2,1-3H3
InChIKeyIXEAWMFBJSWCKN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.02
Rot. Bonds5

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

2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (PubChem CID 55235686) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
PubChem CID55235686
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C2CCCO2)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-10-9-14(18)17(12(3)16-10)7-6-15-11(2)13-5-4-8-19-13/h9,11,13,15H,4-8H2,1-3H3
InChIKeyIXEAWMFBJSWCKN-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (CID 55235686) is 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC(C)C2CCCO2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The InChIKey is IXEAWMFBJSWCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-14(18)17(12(3)16-10)7-6-15-11(2)13-5-4-8-19-13/h9,11,13,15H,4-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 55235686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).