5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine

C20H28N8O — CID 46871771

IUPAC5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine
SMILESCOc1nc(-c2nc(C(C)(C)C)cn2-c2ccnc(NCC(C)C)n2)cnc1N
InChIInChI=1S/C20H28N8O/c1-12(2)9-24-19-22-8-7-15(27-19)28-11-14(20(3,4)5)26-17(28)13-10-23-16(21)18(25-13)29-6/h7-8,10-12H,9H2,1-6H3,(H2,21,23)(H,22,24,27)
InChIKeyVYMUDBGHQJVLAV-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.08
Rot. Bonds6

About 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine

5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine (PubChem CID 46871771) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine.

Molecular Properties

Compound Name5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine
PubChem CID46871771
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine
SMILESCOc1nc(-c2nc(C(C)(C)C)cn2-c2ccnc(NCC(C)C)n2)cnc1N
InChIInChI=1S/C20H28N8O/c1-12(2)9-24-19-22-8-7-15(27-19)28-11-14(20(3,4)5)26-17(28)13-10-23-16(21)18(25-13)29-6/h7-8,10-12H,9H2,1-6H3,(H2,21,23)(H,22,24,27)
InChIKeyVYMUDBGHQJVLAV-UHFFFAOYSA-N
XLogP3.08
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine?
The IUPAC name of 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine (CID 46871771) is 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine.
What is the SMILES notation for 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine?
The canonical SMILES for 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine is COc1nc(-c2nc(C(C)(C)C)cn2-c2ccnc(NCC(C)C)n2)cnc1N.
What is the InChIKey of 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine?
The InChIKey is VYMUDBGHQJVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O/c1-12(2)9-24-19-22-8-7-15(27-19)28-11-14(20(3,4)5)26-17(28)13-10-23-16(21)18(25-13)29-6/h7-8,10-12H,9H2,1-6H3,(H2,21,23)(H,22,24,27).
What are the key properties of 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine?
5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine has a molecular weight of 396.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-tert-butyl-1-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazol-2-yl]-3-methoxypyrazin-2-amine is sourced from PubChem (CID 46871771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).