2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one

C11H19N3O3 — CID 136730522

IUPAC2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCOCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-2-9-13-10(8-11(16)14-9)12-4-3-6-17-7-5-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyZRBZNCIXLRHMKB-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.14
Rot. Bonds8

About 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one

2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136730522) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136730522
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCOCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-2-9-13-10(8-11(16)14-9)12-4-3-6-17-7-5-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyZRBZNCIXLRHMKB-UHFFFAOYSA-N
XLogP0.14
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136730522) is 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is CCc1nc(NCCCOCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is ZRBZNCIXLRHMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-9-13-10(8-11(16)14-9)12-4-3-6-17-7-5-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).