5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine

C12H19N3O — CID 114475438

IUPAC5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
SMILESCc1ncc(NCC2CCCOC2)nc1C
InChIInChI=1S/C12H19N3O/c1-9-10(2)15-12(7-13-9)14-6-11-4-3-5-16-8-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyKTTXYJRLQDZLLM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds3

About 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine

5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine (PubChem CID 114475438) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
PubChem CID114475438
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
SMILESCc1ncc(NCC2CCCOC2)nc1C
InChIInChI=1S/C12H19N3O/c1-9-10(2)15-12(7-13-9)14-6-11-4-3-5-16-8-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyKTTXYJRLQDZLLM-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 106126001
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130416
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107414033
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
5-methyl-4-nitro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 83269750
1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
CID 135089444
N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
CID 114475372
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475447
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
CID 134698138
2-N,2-N-diethyl-5-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 55242219

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine (CID 114475438) is 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine is Cc1ncc(NCC2CCCOC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine?
The InChIKey is KTTXYJRLQDZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10(2)15-12(7-13-9)14-6-11-4-3-5-16-8-11/h7,11H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine?
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 114475438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).