N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine

C13H14FN3O2 — CID 19893948

IUPACN-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine
SMILESCOCc1cc(C)nc(N(O)c2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O2/c1-9-6-11(8-19-2)16-13(15-9)17(18)12-5-3-4-10(14)7-12/h3-7,18H,8H2,1-2H3
InChIKeyADVWNVDJUHBZPA-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.60
Rot. Bonds4

About N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine

N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine (PubChem CID 19893948) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine
PubChem CID19893948
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine
SMILESCOCc1cc(C)nc(N(O)c2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O2/c1-9-6-11(8-19-2)16-13(15-9)17(18)12-5-3-4-10(14)7-12/h3-7,18H,8H2,1-2H3
InChIKeyADVWNVDJUHBZPA-UHFFFAOYSA-N
XLogP2.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine?
The IUPAC name of N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine (CID 19893948) is N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine.
What is the SMILES notation for N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine?
The canonical SMILES for N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine is COCc1cc(C)nc(N(O)c2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine?
The InChIKey is ADVWNVDJUHBZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9-6-11(8-19-2)16-13(15-9)17(18)12-5-3-4-10(14)7-12/h3-7,18H,8H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine?
N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine has a molecular weight of 263.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine is sourced from PubChem (CID 19893948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).