5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine

C16H20N8O — CID 172787816

IUPAC5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine
SMILESCOc1nc(-c2cn(-c3ccnc(N)n3)c(C(C)(C)C)n2)cnc1N
InChIInChI=1S/C16H20N8O/c1-16(2,3)14-22-10(9-7-20-12(17)13(21-9)25-4)8-24(14)11-5-6-19-15(18)23-11/h5-8H,1-4H3,(H2,17,20)(H2,18,19,23)
InChIKeyPDINYBDXTKNEOA-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.59
Rot. Bonds3

About 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine

5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine (PubChem CID 172787816) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine.

Molecular Properties

Compound Name5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine
PubChem CID172787816
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine
SMILESCOc1nc(-c2cn(-c3ccnc(N)n3)c(C(C)(C)C)n2)cnc1N
InChIInChI=1S/C16H20N8O/c1-16(2,3)14-22-10(9-7-20-12(17)13(21-9)25-4)8-24(14)11-5-6-19-15(18)23-11/h5-8H,1-4H3,(H2,17,20)(H2,18,19,23)
InChIKeyPDINYBDXTKNEOA-UHFFFAOYSA-N
XLogP1.59
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine?
The IUPAC name of 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine (CID 172787816) is 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine.
What is the SMILES notation for 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine?
The canonical SMILES for 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine is COc1nc(-c2cn(-c3ccnc(N)n3)c(C(C)(C)C)n2)cnc1N.
What is the InChIKey of 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine?
The InChIKey is PDINYBDXTKNEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-16(2,3)14-22-10(9-7-20-12(17)13(21-9)25-4)8-24(14)11-5-6-19-15(18)23-11/h5-8H,1-4H3,(H2,17,20)(H2,18,19,23).
What are the key properties of 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine?
5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine has a molecular weight of 340.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminopyrimidin-4-yl)-2-tert-butylimidazol-4-yl]-3-methoxypyrazin-2-amine is sourced from PubChem (CID 172787816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).