N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine

C12H12FN3O — CID 19893957

IUPACN-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine
SMILESCc1cc(C)nc(N(O)c2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-8-6-9(2)15-12(14-8)16(17)11-5-3-4-10(13)7-11/h3-7,17H,1-2H3
InChIKeyKEOBDMBCRJJQCA-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.76
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine

N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine (PubChem CID 19893957) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine
PubChem CID19893957
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine
SMILESCc1cc(C)nc(N(O)c2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-8-6-9(2)15-12(14-8)16(17)11-5-3-4-10(13)7-11/h3-7,17H,1-2H3
InChIKeyKEOBDMBCRJJQCA-UHFFFAOYSA-N
XLogP2.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 107541895
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
1,3-difluorobenzene;methanol
CID 144994633
1,1-bis(3-fluorophenyl)hydrazine
CID 68971186
N-(3-fluorophenyl)-N,4,6-trimethyl-3-(methylaminomethyl)pyridin-2-amine
CID 62293985
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
[6-(3-fluoro-N-methylanilino)-5-methyl-3-pyridinyl]methanol
CID 80628282

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine (CID 19893957) is N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine is Cc1cc(C)nc(N(O)c2cccc(F)c2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine?
The InChIKey is KEOBDMBCRJJQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-6-9(2)15-12(14-8)16(17)11-5-3-4-10(13)7-11/h3-7,17H,1-2H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine?
N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine has a molecular weight of 233.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine is sourced from PubChem (CID 19893957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).