2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline

C12H12FN3 — CID 62760447

IUPAC2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cncnc2)c1
InChIInChI=1S/C12H12FN3/c1-9-2-3-11(13)12(4-9)16-7-10-5-14-8-15-6-10/h2-6,8,16H,7H2,1H3
InChIKeyBHBWDUGBSPIVRX-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.54
Rot. Bonds3

About 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline

2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62760447) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62760447
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cncnc2)c1
InChIInChI=1S/C12H12FN3/c1-9-2-3-11(13)12(4-9)16-7-10-5-14-8-15-6-10/h2-6,8,16H,7H2,1H3
InChIKeyBHBWDUGBSPIVRX-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760465
5-methyl-2-nitro-N-(pyrimidin-5-ylmethyl)aniline
CID 112557598
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
CID 104953842
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline (CID 62760447) is 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline is Cc1ccc(F)c(NCc2cncnc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is BHBWDUGBSPIVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-9-2-3-11(13)12(4-9)16-7-10-5-14-8-15-6-10/h2-6,8,16H,7H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline?
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 217.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62760447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).