3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine

C13H20ClN3O — CID 83029129

IUPAC3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(NC2CCOC(C)(C)C2)nc1C
InChIInChI=1S/C13H20ClN3O/c1-8-9(2)16-12(11(14)15-8)17-10-5-6-18-13(3,4)7-10/h10H,5-7H2,1-4H3,(H,16,17)
InChIKeyLMOOPQPZBSUCIH-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.12
Rot. Bonds2

About 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine

3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine (PubChem CID 83029129) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
PubChem CID83029129
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(NC2CCOC(C)(C)C2)nc1C
InChIInChI=1S/C13H20ClN3O/c1-8-9(2)16-12(11(14)15-8)17-10-5-6-18-13(3,4)7-10/h10H,5-7H2,1-4H3,(H,16,17)
InChIKeyLMOOPQPZBSUCIH-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine (CID 83029129) is 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine is Cc1nc(Cl)c(NC2CCOC(C)(C)C2)nc1C.
What is the InChIKey of 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is LMOOPQPZBSUCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8-9(2)16-12(11(14)15-8)17-10-5-6-18-13(3,4)7-10/h10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine?
3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 83029129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).