2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

C16H22N4 — CID 133475803

IUPAC2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
SMILESCc1cccc(C)c1C(C)Nc1nccnc1N(C)C
InChIInChI=1S/C16H22N4/c1-11-7-6-8-12(2)14(11)13(3)19-15-16(20(4)5)18-10-9-17-15/h6-10,13H,1-5H3,(H,17,19)
InChIKeyIMJKTBOWIQCAQG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.33
Rot. Bonds4

About 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine (PubChem CID 133475803) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
PubChem CID133475803
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
SMILESCc1cccc(C)c1C(C)Nc1nccnc1N(C)C
InChIInChI=1S/C16H22N4/c1-11-7-6-8-12(2)14(11)13(3)19-15-16(20(4)5)18-10-9-17-15/h6-10,13H,1-5H3,(H,17,19)
InChIKeyIMJKTBOWIQCAQG-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol
CID 135096176
2-N,2-N-dimethyl-3-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridine-2,3-diamine
CID 43784227
3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 133475780
3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707870
N,N-dimethyl-3-[(1R)-1-(methylamino)ethyl]pyridin-2-amine
CID 130631102
4-ethyl-N,N-dimethyl-3-propan-2-ylpyridin-2-amine
CID 146574095
N,3-dimethyl-N-propan-2-ylpyridin-2-amine
CID 59917060
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyridin-3-amine
CID 79041619
deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
CID 158876581
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
CID 133475787
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
The IUPAC name of 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine (CID 133475803) is 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine.
What is the SMILES notation for 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
The canonical SMILES for 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine is Cc1cccc(C)c1C(C)Nc1nccnc1N(C)C.
What is the InChIKey of 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
The InChIKey is IMJKTBOWIQCAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-7-6-8-12(2)14(11)13(3)19-15-16(20(4)5)18-10-9-17-15/h6-10,13H,1-5H3,(H,17,19).
What are the key properties of 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine is sourced from PubChem (CID 133475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).