methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate

C10H15N3O3 — CID 62006424

IUPACmethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)Nc1nc(C)cnc1C
InChIInChI=1S/C10H15N3O3/c1-6-4-11-7(2)9(12-6)13-8(5-14)10(15)16-3/h4,8,14H,5H2,1-3H3,(H,12,13)
InChIKeyKRVXAUVLWIBQBJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.04
Rot. Bonds4

About methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate

methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate (PubChem CID 62006424) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate
PubChem CID62006424
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)Nc1nc(C)cnc1C
InChIInChI=1S/C10H15N3O3/c1-6-4-11-7(2)9(12-6)13-8(5-14)10(15)16-3/h4,8,14H,5H2,1-3H3,(H,12,13)
InChIKeyKRVXAUVLWIBQBJ-UHFFFAOYSA-N
XLogP0.04
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate (CID 62006424) is methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate is COC(=O)C(CO)Nc1nc(C)cnc1C.
What is the InChIKey of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate?
The InChIKey is KRVXAUVLWIBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-4-11-7(2)9(12-6)13-8(5-14)10(15)16-3/h4,8,14H,5H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate?
methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate has a molecular weight of 225.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 62006424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).