6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine

C11H16ClN3O — CID 103768470

IUPAC6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cncc(Cl)n1)C1CCOCC1
InChIInChI=1S/C11H16ClN3O/c1-8(9-2-4-16-5-3-9)14-11-7-13-6-10(12)15-11/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyPRZCRVMEIMAPEX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.36
Rot. Bonds3

About 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine

6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine (PubChem CID 103768470) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
PubChem CID103768470
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cncc(Cl)n1)C1CCOCC1
InChIInChI=1S/C11H16ClN3O/c1-8(9-2-4-16-5-3-9)14-11-7-13-6-10(12)15-11/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyPRZCRVMEIMAPEX-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
6-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyrazin-2-amine
CID 47370622
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
N-(1-cyclopentylethyl)-6-hydrazinylpyrazin-2-amine
CID 80911821
6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
CID 114115082
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114115361
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427
6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 66450152
6-chloro-N-(1-cyclohexylpropyl)pyrazin-2-amine
CID 62406542
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazin-2-amine
CID 47151480
6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 167847361

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine (CID 103768470) is 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine is CC(Nc1cncc(Cl)n1)C1CCOCC1.
What is the InChIKey of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine?
The InChIKey is PRZCRVMEIMAPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(9-2-4-16-5-3-9)14-11-7-13-6-10(12)15-11/h6-9H,2-5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine?
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine has a molecular weight of 241.72 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 103768470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).