2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine

C13H14ClN3 — CID 82296139

IUPAC2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c1-9-7-12(15)17-13(16-9)6-5-10-3-2-4-11(14)8-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17)
InChIKeyPCXDVHKGWSEFOW-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.81
Rot. Bonds3

About 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine

2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 82296139) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID82296139
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c1-9-7-12(15)17-13(16-9)6-5-10-3-2-4-11(14)8-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17)
InChIKeyPCXDVHKGWSEFOW-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

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Related Compounds

2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]aniline
CID 82485385
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80942588
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62191554
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine (CID 82296139) is 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is PCXDVHKGWSEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-7-12(15)17-13(16-9)6-5-10-3-2-4-11(14)8-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine 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-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82296139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).