4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline

C17H13F2N3 — CID 132513528

IUPAC4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline
SMILESFc1ccc(NC(c2ccc(F)cc2)c2ncccn2)cc1
InChIInChI=1S/C17H13F2N3/c18-13-4-2-12(3-5-13)16(17-20-10-1-11-21-17)22-15-8-6-14(19)7-9-15/h1-11,16,22H
InChIKeyFHPZHJCCYQGANL-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.96
Rot. Bonds4

About 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline

4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline (PubChem CID 132513528) has the molecular formula C17H13F2N3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline
PubChem CID132513528
Molecular FormulaC17H13F2N3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline
SMILESFc1ccc(NC(c2ccc(F)cc2)c2ncccn2)cc1
InChIInChI=1S/C17H13F2N3/c18-13-4-2-12(3-5-13)16(17-20-10-1-11-21-17)22-15-8-6-14(19)7-9-15/h1-11,16,22H
InChIKeyFHPZHJCCYQGANL-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 141147891
1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110452390
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
N-[(4-fluorophenyl)-phenylmethyl]-3-phenylpyridin-2-amine
CID 57412435
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
CID 11327045
2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
CID 63969132
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline (CID 132513528) is 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline is Fc1ccc(NC(c2ccc(F)cc2)c2ncccn2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline?
The InChIKey is FHPZHJCCYQGANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3/c18-13-4-2-12(3-5-13)16(17-20-10-1-11-21-17)22-15-8-6-14(19)7-9-15/h1-11,16,22H.
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline?
4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline has a molecular weight of 297.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline is sourced from PubChem (CID 132513528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).