2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide

C13H23N5O3 — CID 136906893

IUPAC2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCOCCN(CCOCC)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C13H23N5O3/c1-3-20-9-7-18(8-10-21-4-2)13-15-6-5-11(16-13)12(14)17-19/h5-6,19H,3-4,7-10H2,1-2H3,(H2,14,17)
InChIKeyDZTIMEQMXTZFCF-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.45
Rot. Bonds10

About 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide

2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906893) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906893
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCOCCN(CCOCC)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C13H23N5O3/c1-3-20-9-7-18(8-10-21-4-2)13-15-6-5-11(16-13)12(14)17-19/h5-6,19H,3-4,7-10H2,1-2H3,(H2,14,17)
InChIKeyDZTIMEQMXTZFCF-UHFFFAOYSA-N
XLogP0.45
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
CID 136906918
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906661
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 136907412
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013571
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 81062151
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
CID 136986741

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide (CID 136906893) is 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide is CCOCCN(CCOCC)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is DZTIMEQMXTZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-3-20-9-7-18(8-10-21-4-2)13-15-6-5-11(16-13)12(14)17-19/h5-6,19H,3-4,7-10H2,1-2H3,(H2,14,17).
What are the key properties of 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 297.36 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).