N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine

C16H18ClFN4O2 — CID 87795892

IUPACN-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine
SMILESNc1ncc(Oc2ccc(Cl)cc2F)c(N(O)C2CCCCC2)n1
InChIInChI=1S/C16H18ClFN4O2/c17-10-6-7-13(12(18)8-10)24-14-9-20-16(19)21-15(14)22(23)11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,19,20,21)
InChIKeyUQJKMODMNGYXHZ-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.17
Rot. Bonds4

About N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine

N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine (PubChem CID 87795892) has the molecular formula C16H18ClFN4O2 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine.

Molecular Properties

Compound NameN-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine
PubChem CID87795892
Molecular FormulaC16H18ClFN4O2
Molecular Weight352.80 g/mol
Exact Mass352.11
IUPAC NameN-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine
SMILESNc1ncc(Oc2ccc(Cl)cc2F)c(N(O)C2CCCCC2)n1
InChIInChI=1S/C16H18ClFN4O2/c17-10-6-7-13(12(18)8-10)24-14-9-20-16(19)21-15(14)22(23)11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,19,20,21)
InChIKeyUQJKMODMNGYXHZ-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine?
The IUPAC name of N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine (CID 87795892) is N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine.
What is the SMILES notation for N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine?
The canonical SMILES for N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine is Nc1ncc(Oc2ccc(Cl)cc2F)c(N(O)C2CCCCC2)n1.
What is the InChIKey of N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine?
The InChIKey is UQJKMODMNGYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O2/c17-10-6-7-13(12(18)8-10)24-14-9-20-16(19)21-15(14)22(23)11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,19,20,21).
What are the key properties of N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine?
N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine has a molecular weight of 352.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexylhydroxylamine is sourced from PubChem (CID 87795892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).