3-fluoro-2-pyrimidin-2-yloxyaniline

C10H8FN3O — CID 104832174

IUPAC3-fluoro-2-pyrimidin-2-yloxyaniline
SMILESNc1cccc(F)c1Oc1ncccn1
InChIInChI=1S/C10H8FN3O/c11-7-3-1-4-8(12)9(7)15-10-13-5-2-6-14-10/h1-6H,12H2
InChIKeyQXASNDPJOJGDJZ-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-2-pyrimidin-2-yloxyaniline

3-fluoro-2-pyrimidin-2-yloxyaniline (PubChem CID 104832174) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-fluoro-2-pyrimidin-2-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-2-pyrimidin-2-yloxyaniline
PubChem CID104832174
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-fluoro-2-pyrimidin-2-yloxyaniline
SMILESNc1cccc(F)c1Oc1ncccn1
InChIInChI=1S/C10H8FN3O/c11-7-3-1-4-8(12)9(7)15-10-13-5-2-6-14-10/h1-6H,12H2
InChIKeyQXASNDPJOJGDJZ-UHFFFAOYSA-N
XLogP1.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(Pyrimidin-2-yloxy)aniline
CID 1484610
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
Bisanilinopyrimidine, 6f
CID 70702137
1-(2-Methoxyphenyl)-3-pyridin-4-ylurea
CID 677339
4-(1-Phenoxyethyl)pyrimidin-2-amine
CID 4364907
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
N-[4-(2-pyrimidinyloxy)phenyl]acetamide
CID 1487531
2,4-Bisanilinopyrimidine, 29
CID 44224084
5-fluoro-N-(4-methoxyphenyl)-4-(4-morpholinyl)-2-pyrimidinamine
CID 2210271
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
5-[(4-Amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 13043128
2-chloro-N-(4-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 57953971

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-pyrimidin-2-yloxyaniline?
The IUPAC name of 3-fluoro-2-pyrimidin-2-yloxyaniline (CID 104832174) is 3-fluoro-2-pyrimidin-2-yloxyaniline.
What is the SMILES notation for 3-fluoro-2-pyrimidin-2-yloxyaniline?
The canonical SMILES for 3-fluoro-2-pyrimidin-2-yloxyaniline is Nc1cccc(F)c1Oc1ncccn1.
What is the InChIKey of 3-fluoro-2-pyrimidin-2-yloxyaniline?
The InChIKey is QXASNDPJOJGDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-3-1-4-8(12)9(7)15-10-13-5-2-6-14-10/h1-6H,12H2.
What are the key properties of 3-fluoro-2-pyrimidin-2-yloxyaniline?
3-fluoro-2-pyrimidin-2-yloxyaniline has a molecular weight of 205.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-pyrimidin-2-yloxyaniline is sourced from PubChem (CID 104832174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).