6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine

C10H6ClFN4O3 — CID 80876132

IUPAC6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine
SMILESNc1ncnc(Oc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H6ClFN4O3/c11-6-3-5(1-2-7(6)12)19-10-8(16(17)18)9(13)14-4-15-10/h1-4H,(H2,13,14,15)
InChIKeyYARMZZFAMIVEFD-UHFFFAOYSA-N
MW284.63 g/mol
LogP2.55
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine (PubChem CID 80876132) has the molecular formula C10H6ClFN4O3 and a molecular weight of 284.63 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine
PubChem CID80876132
Molecular FormulaC10H6ClFN4O3
Molecular Weight284.63 g/mol
Exact Mass284.01
IUPAC Name6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine
SMILESNc1ncnc(Oc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H6ClFN4O3/c11-6-3-5(1-2-7(6)12)19-10-8(16(17)18)9(13)14-4-15-10/h1-4H,(H2,13,14,15)
InChIKeyYARMZZFAMIVEFD-UHFFFAOYSA-N
XLogP2.55
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.63
LogP ≤ 52.55
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

6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22537904
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
3-(6-amino-5-nitropyrimidin-4-yl)oxybenzonitrile
CID 80862765
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
6-(3-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80880750
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
4-(3-chloro-4-nitrophenoxy)-6-ethyl-5-fluoropyrimidine
CID 166192494
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine (CID 80876132) is 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine is Nc1ncnc(Oc2ccc(F)c(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is YARMZZFAMIVEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN4O3/c11-6-3-5(1-2-7(6)12)19-10-8(16(17)18)9(13)14-4-15-10/h1-4H,(H2,13,14,15).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 284.63 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80876132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).