2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline

C14H16ClN3 — CID 82485386

IUPAC2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
SMILESCc1cc(CCc2ccc(Cl)c(N)c2)nc(C)n1
InChIInChI=1S/C14H16ClN3/c1-9-7-12(18-10(2)17-9)5-3-11-4-6-13(15)14(16)8-11/h4,6-8H,3,5,16H2,1-2H3
InChIKeyKNYCBLKXPFFKMJ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline

2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline (PubChem CID 82485386) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
PubChem CID82485386
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
SMILESCc1cc(CCc2ccc(Cl)c(N)c2)nc(C)n1
InChIInChI=1S/C14H16ClN3/c1-9-7-12(18-10(2)17-9)5-3-11-4-6-13(15)14(16)8-11/h4,6-8H,3,5,16H2,1-2H3
InChIKeyKNYCBLKXPFFKMJ-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.11
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-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085
2,4-dimethyl-6-propylpyrimidine
CID 24975150
2-chloro-5-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82477026
3-[(3-amino-4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769163
2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
CID 98019806
2-chloro-5-(methylsulfanylmethyl)aniline
CID 54594216
2-chloro-5-(methoxymethyl)aniline
CID 43349916
5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
CID 82479383
3-(3-amino-4-chlorophenyl)propanamide
CID 83796770
2-chloro-4-propylaniline
CID 19914844
N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline?
The IUPAC name of 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline (CID 82485386) is 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline is Cc1cc(CCc2ccc(Cl)c(N)c2)nc(C)n1.
What is the InChIKey of 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline?
The InChIKey is KNYCBLKXPFFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-7-12(18-10(2)17-9)5-3-11-4-6-13(15)14(16)8-11/h4,6-8H,3,5,16H2,1-2H3.
What are the key properties of 2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline?
2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline has a molecular weight of 261.76 g/mol, XLogP of 3.11, 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-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline is sourced from PubChem (CID 82485386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).