N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine

C16H21N3O — CID 104663142

IUPACN,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
SMILESCCCOc1ccccc1-c1nc(C)c(C)nc1NC
InChIInChI=1S/C16H21N3O/c1-5-10-20-14-9-7-6-8-13(14)15-16(17-4)19-12(3)11(2)18-15/h6-9H,5,10H2,1-4H3,(H,17,19)
InChIKeyJMTZDGCLRIUIPN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.59
Rot. Bonds5

About N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine

N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine (PubChem CID 104663142) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
PubChem CID104663142
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
SMILESCCCOc1ccccc1-c1nc(C)c(C)nc1NC
InChIInChI=1S/C16H21N3O/c1-5-10-20-14-9-7-6-8-13(14)15-16(17-4)19-12(3)11(2)18-15/h6-9H,5,10H2,1-4H3,(H,17,19)
InChIKeyJMTZDGCLRIUIPN-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160
N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663109
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663163
N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80863011
4-(2-propoxyphenyl)phthalazin-1-amine
CID 104663111
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663149
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine?
The IUPAC name of N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine (CID 104663142) is N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine?
The canonical SMILES for N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine is CCCOc1ccccc1-c1nc(C)c(C)nc1NC.
What is the InChIKey of N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine?
The InChIKey is JMTZDGCLRIUIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-10-20-14-9-7-6-8-13(14)15-16(17-4)19-12(3)11(2)18-15/h6-9H,5,10H2,1-4H3,(H,17,19).
What are the key properties of N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine?
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 104663142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).