2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol

C10H17N3O2 — CID 106186351

IUPAC2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1cnc(C)c(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-8(2)12-10(4-11-7)13-9(5-14)6-15-3/h4,9,14H,5-6H2,1-3H3,(H,12,13)
InChIKeyLMIYXZAYJYDXBW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.51
Rot. Bonds5

About 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol

2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106186351) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
PubChem CID106186351
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1cnc(C)c(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-8(2)12-10(4-11-7)13-9(5-14)6-15-3/h4,9,14H,5-6H2,1-3H3,(H,12,13)
InChIKeyLMIYXZAYJYDXBW-UHFFFAOYSA-N
XLogP0.51
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol (CID 106186351) is 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1cnc(C)c(C)n1.
What is the InChIKey of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is LMIYXZAYJYDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(2)12-10(4-11-7)13-9(5-14)6-15-3/h4,9,14H,5-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol?
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106186351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).