N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine

C11H7Cl2F3N4O — CID 54559397

IUPACN-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
SMILESNc1nc(NO)c(-c2cccc(Cl)c2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4O/c12-5-3-1-2-4(7(5)13)6-8(11(14,15)16)18-10(17)19-9(6)20-21/h1-3,21H,(H3,17,18,19,20)
InChIKeyZPMDCLGZMWNBNR-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.85
Rot. Bonds2

About N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine

N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine (PubChem CID 54559397) has the molecular formula C11H7Cl2F3N4O and a molecular weight of 339.10 g/mol. Its IUPAC name is N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
PubChem CID54559397
Molecular FormulaC11H7Cl2F3N4O
Molecular Weight339.10 g/mol
Exact Mass337.99
IUPAC NameN-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
SMILESNc1nc(NO)c(-c2cccc(Cl)c2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4O/c12-5-3-1-2-4(7(5)13)6-8(11(14,15)16)18-10(17)19-9(6)20-21/h1-3,21H,(H3,17,18,19,20)
InChIKeyZPMDCLGZMWNBNR-UHFFFAOYSA-N
XLogP3.85
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
The IUPAC name of N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine (CID 54559397) is N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine.
What is the SMILES notation for N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
The canonical SMILES for N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine is Nc1nc(NO)c(-c2cccc(Cl)c2Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
The InChIKey is ZPMDCLGZMWNBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4O/c12-5-3-1-2-4(7(5)13)6-8(11(14,15)16)18-10(17)19-9(6)20-21/h1-3,21H,(H3,17,18,19,20).
What are the key properties of N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine has a molecular weight of 339.10 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine is sourced from PubChem (CID 54559397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).