3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine

C11H11ClN4O — CID 102985025

IUPAC3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
SMILESCOc1ccc(Cl)cc1Nc1nccnc1N
InChIInChI=1S/C11H11ClN4O/c1-17-9-3-2-7(12)6-8(9)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyRIMWISJVXDOKJN-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.46
Rot. Bonds3

About 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine

3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine (PubChem CID 102985025) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
PubChem CID102985025
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
SMILESCOc1ccc(Cl)cc1Nc1nccnc1N
InChIInChI=1S/C11H11ClN4O/c1-17-9-3-2-7(12)6-8(9)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyRIMWISJVXDOKJN-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260636
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine (CID 102985025) is 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine is COc1ccc(Cl)cc1Nc1nccnc1N.
What is the InChIKey of 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine?
The InChIKey is RIMWISJVXDOKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-9-3-2-7(12)6-8(9)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine?
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine has a molecular weight of 250.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102985025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).