3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine

C12H19N3O — CID 65419059

IUPAC3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCCCO2)n1
InChIInChI=1S/C12H19N3O/c1-9-7-13-10(2)12(15-9)14-8-11-5-3-4-6-16-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyZAVIEOCLWXHIIS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds3

About 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine

3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine (PubChem CID 65419059) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
PubChem CID65419059
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCCCO2)n1
InChIInChI=1S/C12H19N3O/c1-9-7-13-10(2)12(15-9)14-8-11-5-3-4-6-16-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyZAVIEOCLWXHIIS-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
2-tert-butyl-6-N,5-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80983616
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 114448388
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine (CID 65419059) is 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine is Cc1cnc(C)c(NCC2CCCCO2)n1.
What is the InChIKey of 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine?
The InChIKey is ZAVIEOCLWXHIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-13-10(2)12(15-9)14-8-11-5-3-4-6-16-11/h7,11H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine?
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 65419059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).