6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine

C17H14ClN3O — CID 130156889

IUPAC6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
SMILESClc1cncc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C17H14ClN3O/c18-16-10-19-11-17(21-16)20-14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyNBEMHQLRGFCWJQ-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.45
Rot. Bonds5

About 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine

6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine (PubChem CID 130156889) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
PubChem CID130156889
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
SMILESClc1cncc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C17H14ClN3O/c18-16-10-19-11-17(21-16)20-14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyNBEMHQLRGFCWJQ-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
3-N-tert-butyl-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959095
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965499
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
6-(4-phenylmethoxyphenyl)-N-pyridin-4-ylpyridin-2-amine
CID 166873727
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine (CID 130156889) is 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine is Clc1cncc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine?
The InChIKey is NBEMHQLRGFCWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-16-10-19-11-17(21-16)20-14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21).
What are the key properties of 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine?
6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine has a molecular weight of 311.77 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 130156889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).