N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine

C14H16ClN3 — CID 114475522

IUPACN-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H16ClN3/c1-10-11(2)18-14(9-17-10)16-8-7-12-3-5-13(15)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyZMKGKZPUDLCAEC-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine

N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114475522) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114475522
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H16ClN3/c1-10-11(2)18-14(9-17-10)16-8-7-12-3-5-13(15)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyZMKGKZPUDLCAEC-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114476457
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475197
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
CID 55214934
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
5,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrazin-2-amine
CID 106404238
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
CID 79826434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine (CID 114475522) is N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCCc2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is ZMKGKZPUDLCAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-11(2)18-14(9-17-10)16-8-7-12-3-5-13(15)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114475522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).