3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine

C13H21N3O — CID 125434804

IUPAC3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC[C@H]2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-15-11(2)13(16-10)14-6-5-12-4-3-7-17-9-12/h8,12H,3-7,9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeySXXGXDNOCXMLQA-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds4

About 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine

3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine (PubChem CID 125434804) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine
PubChem CID125434804
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC[C@H]2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-15-11(2)13(16-10)14-6-5-12-4-3-7-17-9-12/h8,12H,3-7,9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeySXXGXDNOCXMLQA-GFCCVEGCSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine (CID 125434804) is 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine is Cc1cnc(C)c(NCC[C@H]2CCCOC2)n1.
What is the InChIKey of 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine?
The InChIKey is SXXGXDNOCXMLQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-15-11(2)13(16-10)14-6-5-12-4-3-7-17-9-12/h8,12H,3-7,9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine?
3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 125434804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).