5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C14H25N3O2 — CID 135970649

IUPAC5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCCCOCCNC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H25N3O2/c1-5-6-8-19-9-7-15-10(2)13-11(3)16-12(4)17-14(13)18/h10,15H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyBQKHTUHPSVLKIG-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.85
Rot. Bonds8

About 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135970649) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135970649
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCCCOCCNC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H25N3O2/c1-5-6-8-19-9-7-15-10(2)13-11(3)16-12(4)17-14(13)18/h10,15H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyBQKHTUHPSVLKIG-UHFFFAOYSA-N
XLogP1.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135970649) is 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is CCCCOCCNC(C)c1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is BQKHTUHPSVLKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-6-8-19-9-7-15-10(2)13-11(3)16-12(4)17-14(13)18/h10,15H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).