4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine

C10H7ClN4O3 — CID 80879396

IUPAC4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nccc(Oc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C10H7ClN4O3/c11-7-2-1-6(15(16)17)5-8(7)18-9-3-4-13-10(12)14-9/h1-5H,(H2,12,13,14)
InChIKeyGILBVKRGOFZOQC-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.41
Rot. Bonds3

About 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine

4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80879396) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
PubChem CID80879396
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nccc(Oc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C10H7ClN4O3/c11-7-2-1-6(15(16)17)5-8(7)18-9-3-4-13-10(12)14-9/h1-5H,(H2,12,13,14)
InChIKeyGILBVKRGOFZOQC-UHFFFAOYSA-N
XLogP2.41
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.41
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

4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
6-(2-chloro-5-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80942269
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880404
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
5-(2-chloro-5-nitrophenoxy)-2-nitroaniline
CID 106752058
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine (CID 80879396) is 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine is Nc1nccc(Oc2cc([N+](=O)[O-])ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is GILBVKRGOFZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-7-2-1-6(15(16)17)5-8(7)18-9-3-4-13-10(12)14-9/h1-5H,(H2,12,13,14).
What are the key properties of 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine?
4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 266.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80879396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).