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

C13H21N3O3 — CID 79374764

IUPAC2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCC1CCOC1
InChIInChI=1S/C13H21N3O3/c1-10-7-12(17)16(13(15-10)18-2)5-4-14-8-11-3-6-19-9-11/h7,11,14H,3-6,8-9H2,1-2H3
InChIKeyFSHITQHSHYAHLM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.19
Rot. Bonds6

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

2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 79374764) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
PubChem CID79374764
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCC1CCOC1
InChIInChI=1S/C13H21N3O3/c1-10-7-12(17)16(13(15-10)18-2)5-4-14-8-11-3-6-19-9-11/h7,11,14H,3-6,8-9H2,1-2H3
InChIKeyFSHITQHSHYAHLM-UHFFFAOYSA-N
XLogP0.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one (CID 79374764) is 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCNCC1CCOC1.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is FSHITQHSHYAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-7-12(17)16(13(15-10)18-2)5-4-14-8-11-3-6-19-9-11/h7,11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 267.33 g/mol, XLogP of 0.19, 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-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79374764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).