6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine

C11H16ClN3O2 — CID 133400001

IUPAC6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
SMILESCOC1(CNc2cncc(Cl)n2)CCOCC1
InChIInChI=1S/C11H16ClN3O2/c1-16-11(2-4-17-5-3-11)8-14-10-7-13-6-9(12)15-10/h6-7H,2-5,8H2,1H3,(H,14,15)
InChIKeyWYJOFVDVMCRCPI-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.74
Rot. Bonds4

About 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine

6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine (PubChem CID 133400001) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
PubChem CID133400001
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
SMILESCOC1(CNc2cncc(Cl)n2)CCOCC1
InChIInChI=1S/C11H16ClN3O2/c1-16-11(2-4-17-5-3-11)8-14-10-7-13-6-9(12)15-10/h6-7H,2-5,8H2,1H3,(H,14,15)
InChIKeyWYJOFVDVMCRCPI-UHFFFAOYSA-N
XLogP1.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine (CID 133400001) is 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine is COC1(CNc2cncc(Cl)n2)CCOCC1.
What is the InChIKey of 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
The InChIKey is WYJOFVDVMCRCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-16-11(2-4-17-5-3-11)8-14-10-7-13-6-9(12)15-10/h6-7H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133400001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).