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

C13H21N3O2 — CID 104747703

IUPAC2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1
InChIInChI=1S/C13H21N3O2/c1-9-6-13(17)16(10(2)15-9)7-12(14-3)11-4-5-18-8-11/h6,11-12,14H,4-5,7-8H2,1-3H3
InChIKeyAKGSQANXBRMQHD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.48
Rot. Bonds4

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

2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one (PubChem CID 104747703) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
PubChem CID104747703
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1
InChIInChI=1S/C13H21N3O2/c1-9-6-13(17)16(10(2)15-9)7-12(14-3)11-4-5-18-8-11/h6,11-12,14H,4-5,7-8H2,1-3H3
InChIKeyAKGSQANXBRMQHD-UHFFFAOYSA-N
XLogP0.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.48
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-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one (CID 104747703) is 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one is CNC(Cn1c(C)nc(C)cc1=O)C1CCOC1.
What is the InChIKey of 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The InChIKey is AKGSQANXBRMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-13(17)16(10(2)15-9)7-12(14-3)11-4-5-18-8-11/h6,11-12,14H,4-5,7-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.48, 4 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-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 104747703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).