6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine

C9H14ClN3O — CID 104576969

IUPAC6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
SMILESCC(C)OCCNc1cncc(Cl)n1
InChIInChI=1S/C9H14ClN3O/c1-7(2)14-4-3-12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyWRWJDKHWWVIJBK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.97
Rot. Bonds5

About 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine

6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine (PubChem CID 104576969) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
PubChem CID104576969
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
SMILESCC(C)OCCNc1cncc(Cl)n1
InChIInChI=1S/C9H14ClN3O/c1-7(2)14-4-3-12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyWRWJDKHWWVIJBK-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
CID 62505407
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid
CID 114335475
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyrazin-2-amine
CID 65047983
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
CID 130635068
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
6-chloro-N-prop-2-ynylpyrazin-2-amine
CID 107268148

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine (CID 104576969) is 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine is CC(C)OCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine?
The InChIKey is WRWJDKHWWVIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7(2)14-4-3-12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine?
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine has a molecular weight of 215.68 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine is sourced from PubChem (CID 104576969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).