2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C8H11ClN4O4 — CID 13157472

IUPAC2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESO=[N+]([O-])c1c(Cl)ncnc1N(CCO)CCO
InChIInChI=1S/C8H11ClN4O4/c9-7-6(13(16)17)8(11-5-10-7)12(1-3-14)2-4-15/h5,14-15H,1-4H2
InChIKeyYCGHWYZKTBSEDZ-UHFFFAOYSA-N
MW262.65 g/mol
LogP-0.17
Rot. Bonds6

About 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 13157472) has the molecular formula C8H11ClN4O4 and a molecular weight of 262.65 g/mol. Its IUPAC name is 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID13157472
Molecular FormulaC8H11ClN4O4
Molecular Weight262.65 g/mol
Exact Mass262.05
IUPAC Name2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESO=[N+]([O-])c1c(Cl)ncnc1N(CCO)CCO
InChIInChI=1S/C8H11ClN4O4/c9-7-6(13(16)17)8(11-5-10-7)12(1-3-14)2-4-15/h5,14-15H,1-4H2
InChIKeyYCGHWYZKTBSEDZ-UHFFFAOYSA-N
XLogP-0.17
TPSA112.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol 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

6-chloro-N,N-bis(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 107870670
N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
CID 62101508
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
2-[[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23492925
6-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 55035765
4-[bis(2-hydroxyethyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 66368184
2-[(6-chloro-5-nitropyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 62101026
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407
6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 62100691
2-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23493265
2-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23493217
2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23493137

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 13157472) is 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is O=[N+]([O-])c1c(Cl)ncnc1N(CCO)CCO.
What is the InChIKey of 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YCGHWYZKTBSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O4/c9-7-6(13(16)17)8(11-5-10-7)12(1-3-14)2-4-15/h5,14-15H,1-4H2.
What are the key properties of 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 262.65 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 13157472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).