2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C11H19N3O3 — CID 135621415

IUPAC2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCNc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-17-7-5-12-11-13-8(2)9(4-6-15)10(16)14-11/h15H,3-7H2,1-2H3,(H2,12,13,14,16)
InChIKeySBXMSNYDMQJOIR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.06
Rot. Bonds7

About 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135621415) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135621415
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCNc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-17-7-5-12-11-13-8(2)9(4-6-15)10(16)14-11/h15H,3-7H2,1-2H3,(H2,12,13,14,16)
InChIKeySBXMSNYDMQJOIR-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
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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Related Compounds

3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
6-Tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110306
5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135736974
5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
CID 135736975
2-dimethylamino-5-(2-hydroxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 135736976
1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea
CID 136592867
2-[2-(Ethylamino)-1,4-dimethyl-6-oxopyrimidin-5-yl]ethyl hypochlorite
CID 139800772
2-[2-(Butylamino)-1,4-dimethyl-6-oxopyrimidin-5-yl]ethyl hypochlorite
CID 139800773
2-[1,4-Dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite
CID 139800781

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135621415) is 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is CCOCCNc1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SBXMSNYDMQJOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-17-7-5-12-11-13-8(2)9(4-6-15)10(16)14-11/h15H,3-7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135621415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).