2-(2-methoxypyrimidin-5-yl)aniline

C11H11N3O — CID 105453472

IUPAC2-(2-methoxypyrimidin-5-yl)aniline
SMILESCOc1ncc(-c2ccccc2N)cn1
InChIInChI=1S/C11H11N3O/c1-15-11-13-6-8(7-14-11)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3
InChIKeyZYVXVYYKCMSRBM-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds2

About 2-(2-methoxypyrimidin-5-yl)aniline

2-(2-methoxypyrimidin-5-yl)aniline (PubChem CID 105453472) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(2-methoxypyrimidin-5-yl)aniline.

Molecular Properties

Compound Name2-(2-methoxypyrimidin-5-yl)aniline
PubChem CID105453472
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(2-methoxypyrimidin-5-yl)aniline
SMILESCOc1ncc(-c2ccccc2N)cn1
InChIInChI=1S/C11H11N3O/c1-15-11-13-6-8(7-14-11)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3
InChIKeyZYVXVYYKCMSRBM-UHFFFAOYSA-N
XLogP1.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
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

2-[2-(trifluoromethyl)pyrimidin-5-yl]aniline
CID 82388489
trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167980560
2-quinolin-3-ylaniline
CID 4134401
2-(3-methoxypyrazin-2-yl)aniline
CID 104516148
5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine
CID 139437886
2-(2-methoxypyrimidin-5-yl)-5-methylphenol
CID 142614111
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
CID 159962191
CID 159962191
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665
5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine
CID 141223084
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypyrimidin-5-yl)aniline?
The IUPAC name of 2-(2-methoxypyrimidin-5-yl)aniline (CID 105453472) is 2-(2-methoxypyrimidin-5-yl)aniline.
What is the SMILES notation for 2-(2-methoxypyrimidin-5-yl)aniline?
The canonical SMILES for 2-(2-methoxypyrimidin-5-yl)aniline is COc1ncc(-c2ccccc2N)cn1.
What is the InChIKey of 2-(2-methoxypyrimidin-5-yl)aniline?
The InChIKey is ZYVXVYYKCMSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-11-13-6-8(7-14-11)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3.
What are the key properties of 2-(2-methoxypyrimidin-5-yl)aniline?
2-(2-methoxypyrimidin-5-yl)aniline has a molecular weight of 201.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypyrimidin-5-yl)aniline is sourced from PubChem (CID 105453472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).