N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine

C16H10Cl2N4O3 — CID 22530963

IUPACN-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)ncnc1Oc1ccccc1
InChIInChI=1S/C16H10Cl2N4O3/c17-11-7-4-8-12(13(11)18)21-15-14(22(23)24)16(20-9-19-15)25-10-5-2-1-3-6-10/h1-9H,(H,19,20,21)
InChIKeyZCYLEKIGZLGHQQ-UHFFFAOYSA-N
MW377.19 g/mol
LogP5.23
Rot. Bonds5

About N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine

N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine (PubChem CID 22530963) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
PubChem CID22530963
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC NameN-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)ncnc1Oc1ccccc1
InChIInChI=1S/C16H10Cl2N4O3/c17-11-7-4-8-12(13(11)18)21-15-14(22(23)24)16(20-9-19-15)25-10-5-2-1-3-6-10/h1-9H,(H,19,20,21)
InChIKeyZCYLEKIGZLGHQQ-UHFFFAOYSA-N
XLogP5.23
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.19
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22537398
4-N-(2,3-dichlorophenyl)-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22530903
N-(3-chlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22532545
6-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532089
6-N-(4-chlorophenyl)-4-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530912
N-(3-chloro-2-methylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 23484110
4-N-cycloheptyl-6-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530998
6-(2-tert-butylhydrazinyl)-N-(2,3-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 22530966
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
6-(4-ethylphenoxy)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527625
N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22534167
6-(4-bromophenoxy)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482786

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine (CID 22530963) is N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine is O=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)ncnc1Oc1ccccc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine?
The InChIKey is ZCYLEKIGZLGHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c17-11-7-4-8-12(13(11)18)21-15-14(22(23)24)16(20-9-19-15)25-10-5-2-1-3-6-10/h1-9H,(H,19,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine?
N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine has a molecular weight of 377.19 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine is sourced from PubChem (CID 22530963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).