3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione

C10H17N3O4 — CID 106934090

IUPAC3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(CCOCCO)c1=O
InChIInChI=1S/C10H17N3O4/c11-2-4-13-9(15)1-3-12(10(13)16)5-7-17-8-6-14/h1,3,14H,2,4-8,11H2
InChIKeyFZLOFTHTPFCZAG-UHFFFAOYSA-N
MW243.26 g/mol
LogP-2.02
Rot. Bonds7

About 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione

3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 106934090) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID106934090
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(CCOCCO)c1=O
InChIInChI=1S/C10H17N3O4/c11-2-4-13-9(15)1-3-12(10(13)16)5-7-17-8-6-14/h1,3,14H,2,4-8,11H2
InChIKeyFZLOFTHTPFCZAG-UHFFFAOYSA-N
XLogP-2.02
TPSA99.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 106934140
1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63810761
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
1-cyclopropyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one
CID 80582173

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione (CID 106934090) is 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione is NCCn1c(=O)ccn(CCOCCO)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is FZLOFTHTPFCZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-2-4-13-9(15)1-3-12(10(13)16)5-7-17-8-6-14/h1,3,14H,2,4-8,11H2.
What are the key properties of 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione?
3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 243.26 g/mol, XLogP of -2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106934090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).