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

C12H11ClFN3 — CID 62747144

IUPAC5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1nccc(CNc2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H11ClFN3/c1-8-15-5-4-10(17-8)7-16-12-6-9(13)2-3-11(12)14/h2-6,16H,7H2,1H3
InChIKeyHHZMLVQYXYNUOS-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.19
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline

5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline (PubChem CID 62747144) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
PubChem CID62747144
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1nccc(CNc2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H11ClFN3/c1-8-15-5-4-10(17-8)7-16-12-6-9(13)2-3-11(12)14/h2-6,16H,7H2,1H3
InChIKeyHHZMLVQYXYNUOS-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62810194
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
4-bromo-3-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 65435143
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
4-fluoro-1-N-[(2-methylpyrimidin-4-yl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592969
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80813733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline (CID 62747144) is 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline is Cc1nccc(CNc2cc(Cl)ccc2F)n1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The InChIKey is HHZMLVQYXYNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-8-15-5-4-10(17-8)7-16-12-6-9(13)2-3-11(12)14/h2-6,16H,7H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline has a molecular weight of 251.69 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 62747144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).