N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine

C10H17N3O2 — CID 167350513

IUPACN-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine
SMILESCOCC(COC)Nc1nccnc1C
InChIInChI=1S/C10H17N3O2/c1-8-10(12-5-4-11-8)13-9(6-14-2)7-15-3/h4-5,9H,6-7H2,1-3H3,(H,12,13)
InChIKeyNTHSPYOLEFJFPJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.86
Rot. Bonds6

About N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine

N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine (PubChem CID 167350513) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine
PubChem CID167350513
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine
SMILESCOCC(COC)Nc1nccnc1C
InChIInChI=1S/C10H17N3O2/c1-8-10(12-5-4-11-8)13-9(6-14-2)7-15-3/h4-5,9H,6-7H2,1-3H3,(H,12,13)
InChIKeyNTHSPYOLEFJFPJ-UHFFFAOYSA-N
XLogP0.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine?
The IUPAC name of N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine (CID 167350513) is N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine.
What is the SMILES notation for N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine?
The canonical SMILES for N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine is COCC(COC)Nc1nccnc1C.
What is the InChIKey of N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine?
The InChIKey is NTHSPYOLEFJFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-10(12-5-4-11-8)13-9(6-14-2)7-15-3/h4-5,9H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine?
N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxypropan-2-yl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 167350513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).