2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine

C16H21ClN4 — CID 80809197

IUPAC2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C16H21ClN4/c1-4-8-19-15-10-18-11-16(20-15)21(3)12(2)13-6-5-7-14(17)9-13/h5-7,9-12H,4,8H2,1-3H3,(H,19,20)
InChIKeyGWHDHYFACWJLTC-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.15
Rot. Bonds6

About 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine

2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine (PubChem CID 80809197) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
PubChem CID80809197
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C16H21ClN4/c1-4-8-19-15-10-18-11-16(20-15)21(3)12(2)13-6-5-7-14(17)9-13/h5-7,9-12H,4,8H2,1-3H3,(H,19,20)
InChIKeyGWHDHYFACWJLTC-UHFFFAOYSA-N
XLogP4.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[6-(propylamino)pyrazin-2-yl]amino]butanenitrile
CID 80828763
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
2-N-methyl-6-N-propyl-2-N-(pyridin-3-ylmethyl)pyrazine-2,6-diamine
CID 80787409
4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659
5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926352
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine (CID 80809197) is 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)C(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The InChIKey is GWHDHYFACWJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-4-8-19-15-10-18-11-16(20-15)21(3)12(2)13-6-5-7-14(17)9-13/h5-7,9-12H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80809197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).