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

C9H15N3O — CID 63768299

IUPAC2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-7-6-9(13)12(5-4-10-3)8(2)11-7/h6,10H,4-5H2,1-3H3
InChIKeyMOAGPFWKQFVMBX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.08
Rot. Bonds3

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

2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 63768299) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID63768299
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-7-6-9(13)12(5-4-10-3)8(2)11-7/h6,10H,4-5H2,1-3H3
InChIKeyMOAGPFWKQFVMBX-UHFFFAOYSA-N
XLogP0.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one (CID 63768299) is 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one is CNCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is MOAGPFWKQFVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-9(13)12(5-4-10-3)8(2)11-7/h6,10H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63768299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).