4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline

C13H14FN3 — CID 62810194

IUPAC4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1nccc(CNc2ccc(F)c(C)c2)n1
InChIInChI=1S/C13H14FN3/c1-9-7-11(3-4-13(9)14)16-8-12-5-6-15-10(2)17-12/h3-7,16H,8H2,1-2H3
InChIKeySMQBFFBSQDSGMY-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.84
Rot. Bonds3

About 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline

4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline (PubChem CID 62810194) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
PubChem CID62810194
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1nccc(CNc2ccc(F)c(C)c2)n1
InChIInChI=1S/C13H14FN3/c1-9-7-11(3-4-13(9)14)16-8-12-5-6-15-10(2)17-12/h3-7,16H,8H2,1-2H3
InChIKeySMQBFFBSQDSGMY-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 65435143
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747144
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 62746951
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline (CID 62810194) is 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline is Cc1nccc(CNc2ccc(F)c(C)c2)n1.
What is the InChIKey of 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The InChIKey is SMQBFFBSQDSGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-7-11(3-4-13(9)14)16-8-12-5-6-15-10(2)17-12/h3-7,16H,8H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline has a molecular weight of 231.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 62810194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).