2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline

C13H14ClN3 — CID 82480085

IUPAC2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
SMILESCc1ccnc(CCc2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C13H14ClN3/c1-9-6-7-16-13(17-9)5-3-10-2-4-11(14)12(15)8-10/h2,4,6-8H,3,5,15H2,1H3
InChIKeyGSGWJBOLYVBSAK-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline

2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline (PubChem CID 82480085) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
PubChem CID82480085
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
SMILESCc1ccnc(CCc2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C13H14ClN3/c1-9-6-7-16-13(17-9)5-3-10-2-4-11(14)12(15)8-10/h2,4,6-8H,3,5,15H2,1H3
InChIKeyGSGWJBOLYVBSAK-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]aniline
CID 82485385
2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
CID 98019806
2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
CID 82485386
2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82477026
2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82471035
2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
2-chloro-5-(methylsulfanylmethyl)aniline
CID 54594216
2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
CID 82487373
3-[(3-amino-4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769163
2-(bromomethyl)-4-methylpyrimidine
CID 86070948
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 82296139
2-chloro-5-(methoxymethyl)aniline
CID 43349916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
The IUPAC name of 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline (CID 82480085) is 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline is Cc1ccnc(CCc2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
The InChIKey is GSGWJBOLYVBSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-6-7-16-13(17-9)5-3-10-2-4-11(14)12(15)8-10/h2,4,6-8H,3,5,15H2,1H3.
What are the key properties of 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline?
2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline has a molecular weight of 247.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline is sourced from PubChem (CID 82480085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).