2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one

C9H15N3O2 — CID 79367325

IUPAC2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-7-6-8(13)12(5-4-10-2)9(11-7)14-3/h6,10H,4-5H2,1-3H3
InChIKeyAGMLJIRRPXAFFI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.22
Rot. Bonds4

About 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 79367325) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID79367325
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-7-6-8(13)12(5-4-10-2)9(11-7)14-3/h6,10H,4-5H2,1-3H3
InChIKeyAGMLJIRRPXAFFI-UHFFFAOYSA-N
XLogP-0.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one (CID 79367325) is 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one is CNCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is AGMLJIRRPXAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-6-8(13)12(5-4-10-2)9(11-7)14-3/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79367325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).