2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline

C11H9F2N3O — CID 165455636

IUPAC2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline
SMILESCOc1ncncc1-c1ccc(F)c(N)c1F
InChIInChI=1S/C11H9F2N3O/c1-17-11-7(4-15-5-16-11)6-2-3-8(12)10(14)9(6)13/h2-5H,14H2,1H3
InChIKeyLBGAEPLTBKKDMN-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.01
Rot. Bonds2

About 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline

2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline (PubChem CID 165455636) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline
PubChem CID165455636
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline
SMILESCOc1ncncc1-c1ccc(F)c(N)c1F
InChIInChI=1S/C11H9F2N3O/c1-17-11-7(4-15-5-16-11)6-2-3-8(12)10(14)9(6)13/h2-5H,14H2,1H3
InChIKeyLBGAEPLTBKKDMN-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.01
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

5-(3-Methoxyphenyl)-4-phenylpyrimidin-2-amine
CID 134140823
N-[3-(aminomethyl)-5-fluorophenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine
CID 166627079
5,6-Diphenyl-4-pyrimidinyl methyl ether
CID 824774
4-(4-Methoxyphenyl)pyrimidin-2-amine
CID 2735362
(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(4-methoxypyrimidin-2-yl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine
CID 71550092
N-[3-(4-methoxyphenyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129010744
N-[3-(3-methoxyphenyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129010757
N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide
CID 56719172
4-(4-fluorophenyl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 12171624
US10266549, Example 172
CID 118905433
5-(2-Fluoro-6-methoxyphenyl)pyrimidine
CID 56715631
5-(4-Methoxyphenyl)-4-methylpyrimidine
CID 54246644

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline?
The IUPAC name of 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline (CID 165455636) is 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline.
What is the SMILES notation for 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline?
The canonical SMILES for 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline is COc1ncncc1-c1ccc(F)c(N)c1F.
What is the InChIKey of 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline?
The InChIKey is LBGAEPLTBKKDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-17-11-7(4-15-5-16-11)6-2-3-8(12)10(14)9(6)13/h2-5H,14H2,1H3.
What are the key properties of 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline?
2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline has a molecular weight of 237.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-methoxypyrimidin-5-yl)aniline is sourced from PubChem (CID 165455636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).