6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine

C14H16ClN3O — CID 89324365

IUPAC6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine
SMILESCCc1cc(CNc2cncc(Cl)n2)cc(OC)c1
InChIInChI=1S/C14H16ClN3O/c1-3-10-4-11(6-12(5-10)19-2)7-17-14-9-16-8-13(15)18-14/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)
InChIKeyGWSWZZXUBOXKLE-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.31
Rot. Bonds5

About 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine

6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine (PubChem CID 89324365) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine
PubChem CID89324365
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine
SMILESCCc1cc(CNc2cncc(Cl)n2)cc(OC)c1
InChIInChI=1S/C14H16ClN3O/c1-3-10-4-11(6-12(5-10)19-2)7-17-14-9-16-8-13(15)18-14/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)
InChIKeyGWSWZZXUBOXKLE-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-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

6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193467
6-chloro-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrazin-2-amine
CID 49432897
6-chloro-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyrazin-2-amine
CID 133309543
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
CID 10379013
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
6-chloro-N-prop-2-ynylpyrazin-2-amine
CID 107268148
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
CID 47453552
6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
CID 134465576
N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 104821123

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine (CID 89324365) is 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine is CCc1cc(CNc2cncc(Cl)n2)cc(OC)c1.
What is the InChIKey of 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine?
The InChIKey is GWSWZZXUBOXKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-10-4-11(6-12(5-10)19-2)7-17-14-9-16-8-13(15)18-14/h4-6,8-9H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine?
6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine has a molecular weight of 277.75 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 89324365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).