2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol

C14H15Cl2N5O3 — CID 23493137

IUPAC2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H15Cl2N5O3/c1-2-20(5-6-22)14-12(21(23)24)13(17-8-18-14)19-11-7-9(15)3-4-10(11)16/h3-4,7-8,22H,2,5-6H2,1H3,(H,17,18,19)
InChIKeyUGCROGWISPBZNF-UHFFFAOYSA-N
MW372.21 g/mol
LogP3.25
Rot. Bonds7

About 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol

2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 23493137) has the molecular formula C14H15Cl2N5O3 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
PubChem CID23493137
Molecular FormulaC14H15Cl2N5O3
Molecular Weight372.21 g/mol
Exact Mass371.06
IUPAC Name2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H15Cl2N5O3/c1-2-20(5-6-22)14-12(21(23)24)13(17-8-18-14)19-11-7-9(15)3-4-10(11)16/h3-4,7-8,22H,2,5-6H2,1H3,(H,17,18,19)
InChIKeyUGCROGWISPBZNF-UHFFFAOYSA-N
XLogP3.25
TPSA104.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.25
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'}

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Related Compounds

2-[[6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23479639
2-[ethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]ethanol
CID 23481948
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 23479615
N-[4-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23493220
2-[ethyl-[5-nitro-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol
CID 23484167
2-[ethyl-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]amino]ethanol
CID 23493223
4-N-benzyl-6-N-(2,5-dichlorophenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23478001
N,N-diethyl-4-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitropyrimidin-4-yl]amino]benzenesulfonamide
CID 23493125
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
6-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 23488753
4-N-(2,5-dichlorophenyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485490
2-[[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23493241

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol (CID 23493137) is 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is UGCROGWISPBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O3/c1-2-20(5-6-22)14-12(21(23)24)13(17-8-18-14)19-11-7-9(15)3-4-10(11)16/h3-4,7-8,22H,2,5-6H2,1H3,(H,17,18,19).
What are the key properties of 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol?
2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 372.21 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 23493137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).