6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine

C14H16ClN3O2 — CID 133323999

IUPAC6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
SMILESCOc1ccc(OC(C)CNc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H16ClN3O2/c1-10(7-17-14-9-16-8-13(15)18-14)20-12-5-3-11(19-2)4-6-12/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyFKBMZHOOOLCWDF-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.02
Rot. Bonds6

About 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine

6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine (PubChem CID 133323999) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
PubChem CID133323999
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
SMILESCOc1ccc(OC(C)CNc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H16ClN3O2/c1-10(7-17-14-9-16-8-13(15)18-14)20-12-5-3-11(19-2)4-6-12/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyFKBMZHOOOLCWDF-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
CID 130635068
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine
CID 133323998
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
CID 133272815
6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine
CID 89324365
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine
CID 47370476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine (CID 133323999) is 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine is COc1ccc(OC(C)CNc2cncc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine?
The InChIKey is FKBMZHOOOLCWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10(7-17-14-9-16-8-13(15)18-14)20-12-5-3-11(19-2)4-6-12/h3-6,8-10H,7H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine?
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine has a molecular weight of 293.75 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine is sourced from PubChem (CID 133323999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).