1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one

C10H17N3O2 — CID 175647252

IUPAC1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNCCO)c(=O)n1
InChIInChI=1S/C10H17N3O2/c1-8-7-9(2)13(10(15)12-8)5-3-11-4-6-14/h7,11,14H,3-6H2,1-2H3
InChIKeyDAMPRHGMTATTQL-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.56
Rot. Bonds5

About 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 175647252) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID175647252
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNCCO)c(=O)n1
InChIInChI=1S/C10H17N3O2/c1-8-7-9(2)13(10(15)12-8)5-3-11-4-6-14/h7,11,14H,3-6H2,1-2H3
InChIKeyDAMPRHGMTATTQL-UHFFFAOYSA-N
XLogP-0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxyethyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 121931
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride
CID 6603213
3-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249
1-(2-Hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
CID 53346709
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one chloride
CID 12097246
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097247
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 15787713
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one chloride
CID 69111877
3-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrimidin-3-ium-2-one chloride
CID 69635562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one (CID 175647252) is 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCNCCO)c(=O)n1.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is DAMPRHGMTATTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-9(2)13(10(15)12-8)5-3-11-4-6-14/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 211.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 175647252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).