2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one

C11H19N3O3 — CID 136805768

IUPAC2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCC(O)COC)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-9-13-10(6-11(16)14-9)12-5-4-8(15)7-17-2/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyMORNTJPZXVNLME-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.14
Rot. Bonds7

About 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805768) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136805768
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCC(O)COC)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-9-13-10(6-11(16)14-9)12-5-4-8(15)7-17-2/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyMORNTJPZXVNLME-UHFFFAOYSA-N
XLogP0.14
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one (CID 136805768) is 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one is CCc1nc(NCCC(O)COC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MORNTJPZXVNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-9-13-10(6-11(16)14-9)12-5-4-8(15)7-17-2/h6,8,15H,3-5,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).