N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H15N3O5 — CID 114243378

IUPACN-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(CCOCCO)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-13(2-4-18-5-3-14)9(16)7-6-11-10(17)12-8(7)15/h6,14H,2-5H2,1H3,(H2,11,12,15,17)
InChIKeyXCIFUOLUCAGSRX-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.86
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 114243378) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID114243378
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(CCOCCO)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-13(2-4-18-5-3-14)9(16)7-6-11-10(17)12-8(7)15/h6,14H,2-5H2,1H3,(H2,11,12,15,17)
InChIKeyXCIFUOLUCAGSRX-UHFFFAOYSA-N
XLogP-1.86
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.86
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

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61448160
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
hydroxymethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 141245679
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77081692
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43602104
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-ethylamino]butanoic acid
CID 62821900
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
CID 135171307
N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 79667775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 114243378) is N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CN(CCOCCO)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XCIFUOLUCAGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-13(2-4-18-5-3-14)9(16)7-6-11-10(17)12-8(7)15/h6,14H,2-5H2,1H3,(H2,11,12,15,17).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 257.25 g/mol, XLogP of -1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 114243378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).